REMARK 2 REMARK 2 RESOLUTION. 2.70 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX (PHENIX.REFINE: 1.7.2_869) REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VICENT CHEN,IAN REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE- REMARK 3 : KUNSTLEVE,LI-WEI HUNG,ROBERT IMMORMINO, REMARK 3 : TOM IOERGER,AIRLIE MCCOY,ERIK MCKEE,NIGEL REMARK 3 : MORIARTY,REETAL PAI,RANDY READ,JANE REMARK 3 : RICHARDSON,DAVID RICHARDSON,TOD ROMO,JIM REMARK 3 : SACCHETTINI,NICHOLAS SAUTER,JACOB SMITH, REMARK 3 : LAURENT STORONI,TOM TERWILLIGER,PETER REMARK 3 : ZWART REMARK 3 REMARK 3 REFINEMENT TARGET : ML REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.70 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 49.36 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.350 REMARK 3 COMPLETENESS FOR RANGE (%) : 99.6 REMARK 3 NUMBER OF REFLECTIONS : 109570 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.178 REMARK 3 R VALUE (WORKING SET) : 0.176 REMARK 3 FREE R VALUE : 0.224 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 5474 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS). REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE REMARK 3 1 49.3650 - 8.3869 0.98 3739 203 0.1701 0.1918 REMARK 3 2 8.3869 - 6.6622 1.00 3628 188 0.1549 0.1939 REMARK 3 3 6.6622 - 5.8215 1.00 3552 178 0.1818 0.2324 REMARK 3 4 5.8215 - 5.2899 1.00 3584 157 0.1644 0.1927 REMARK 3 5 5.2899 - 4.9111 1.00 3509 183 0.1350 0.1882 REMARK 3 6 4.9111 - 4.6218 1.00 3525 179 0.1193 0.1564 REMARK 3 7 4.6218 - 4.3905 1.00 3508 186 0.1170 0.1456 REMARK 3 8 4.3905 - 4.1995 1.00 3503 180 0.1250 0.1727 REMARK 3 9 4.1995 - 4.0379 1.00 3498 177 0.1291 0.1834 REMARK 3 10 4.0379 - 3.8986 1.00 3468 181 0.1403 0.1930 REMARK 3 11 3.8986 - 3.7768 1.00 3469 175 0.1533 0.1977 REMARK 3 12 3.7768 - 3.6688 1.00 3465 193 0.1655 0.2093 REMARK 3 13 3.6688 - 3.5723 1.00 3482 166 0.1769 0.2249 REMARK 3 14 3.5723 - 3.4851 1.00 3452 189 0.1829 0.2468 REMARK 3 15 3.4851 - 3.4059 1.00 3445 188 0.1924 0.2462 REMARK 3 16 3.4059 - 3.3335 1.00 3445 187 0.2022 0.2536 REMARK 3 17 3.3335 - 3.2668 1.00 3440 186 0.2064 0.3016 REMARK 3 18 3.2668 - 3.2052 1.00 3442 199 0.2103 0.2510 REMARK 3 19 3.2052 - 3.1479 1.00 3448 179 0.2215 0.2699 REMARK 3 20 3.1479 - 3.0946 1.00 3429 183 0.2276 0.2952 REMARK 3 21 3.0946 - 3.0447 1.00 3435 185 0.2321 0.2681 REMARK 3 22 3.0447 - 2.9978 1.00 3419 176 0.2271 0.2928 REMARK 3 23 2.9978 - 2.9538 1.00 3427 199 0.2449 0.3270 REMARK 3 24 2.9538 - 2.9122 1.00 3421 191 0.2583 0.3176 REMARK 3 25 2.9122 - 2.8728 1.00 3426 188 0.2586 0.3063 REMARK 3 26 2.8728 - 2.8355 1.00 3378 180 0.2650 0.3332 REMARK 3 27 2.8355 - 2.8001 1.00 3430 193 0.2628 0.3241 REMARK 3 28 2.8001 - 2.7663 0.99 3441 172 0.2789 0.3516 REMARK 3 29 2.7663 - 2.7342 1.00 3424 182 0.2839 0.3488 REMARK 3 30 2.7342 - 2.7034 0.95 3264 151 0.2899 0.3144 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL REMARK 3 SOLVENT RADIUS : 1.00 REMARK 3 SHRINKAGE RADIUS : 0.73 REMARK 3 K_SOL : 0.32 REMARK 3 B_SOL : 41.60 REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.790 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 23.180 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 7.07590 REMARK 3 B22 (A**2) : 7.07590 REMARK 3 B33 (A**2) : -14.15180 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : -0.00000 REMARK 3 B23 (A**2) : -0.00000 REMARK 3 REMARK 3 TWINNING INFORMATION. REMARK 3 FRACTION: NULL REMARK 3 OPERATOR: NULL REMARK 3 REMARK 3 DEVIATIONS FROM IDEAL VALUES. REMARK 3 RMSD COUNT REMARK 3 BOND : 0.006 21300 REMARK 3 ANGLE : 1.017 28873 REMARK 3 CHIRALITY : 0.076 3150 REMARK 3 PLANARITY : 0.004 3704 REMARK 3 DIHEDRAL : 15.340 7867 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 20 REMARK 3 TLS GROUP : 1 REMARK 3 SELECTION: chain 'A' and (resseq 1:99) REMARK 3 ORIGIN FOR THE GROUP (A): 110.5507 85.6890 7.2829 REMARK 3 T TENSOR REMARK 3 T11: 0.3766 T22: 0.6640 REMARK 3 T33: 0.3043 T12: -0.2022 REMARK 3 T13: 0.0433 T23: 0.0271 REMARK 3 L TENSOR REMARK 3 L11: 0.9512 L22: 2.8822 REMARK 3 L33: 1.3067 L12: 1.4961 REMARK 3 L13: 0.0849 L23: -0.4817 REMARK 3 S TENSOR REMARK 3 S11: -0.1629 S12: 0.3073 S13: 0.1921 REMARK 3 S21: -0.4760 S22: 0.0125 S23: -0.2574 REMARK 3 S31: -0.1845 S32: 0.5464 S33: 0.1172 REMARK 3 TLS GROUP : 2 REMARK 3 SELECTION: chain 'A' and (resseq 100:412) REMARK 3 ORIGIN FOR THE GROUP (A): 109.0065 81.8933 24.7236 REMARK 3 T TENSOR REMARK 3 T11: 0.2611 T22: 0.5247 REMARK 3 T33: 0.2437 T12: -0.1698 REMARK 3 T13: 0.0356 T23: -0.0612 REMARK 3 L TENSOR REMARK 3 L11: 0.9971 L22: 1.2053 REMARK 3 L33: 1.0782 L12: 0.1742 REMARK 3 L13: 0.2563 L23: -0.2029 REMARK 3 S TENSOR REMARK 3 S11: -0.0214 S12: 0.0016 S13: 0.2039 REMARK 3 S21: 0.1393 S22: -0.0387 S23: -0.1403 REMARK 3 S31: -0.2330 S32: 0.3561 S33: 0.0428 REMARK 3 TLS GROUP : 3 REMARK 3 SELECTION: chain 'A' and (resseq 413:495) REMARK 3 ORIGIN FOR THE GROUP (A): 112.2602 59.5294 29.6051 REMARK 3 T TENSOR REMARK 3 T11: 0.2159 T22: 0.5681 REMARK 3 T33: 0.2499 T12: -0.0856 REMARK 3 T13: 0.0082 T23: -0.0663 REMARK 3 L TENSOR REMARK 3 L11: 0.8924 L22: 0.7191 REMARK 3 L33: 2.1076 L12: 0.5299 REMARK 3 L13: 0.7818 L23: 0.0258 REMARK 3 S TENSOR REMARK 3 S11: 0.1999 S12: -0.1099 S13: -0.0645 REMARK 3 S21: 0.0262 S22: -0.0779 S23: -0.2559 REMARK 3 S31: -0.1332 S32: 0.3318 S33: 0.0003 REMARK 3 TLS GROUP : 4 REMARK 3 SELECTION: chain 'A' and (resseq 496:628) REMARK 3 ORIGIN FOR THE GROUP (A): 100.5755 55.3670 18.8927 REMARK 3 T TENSOR REMARK 3 T11: 0.2119 T22: 0.4891 REMARK 3 T33: 0.2121 T12: -0.0036 REMARK 3 T13: 0.0569 T23: -0.0258 REMARK 3 L TENSOR REMARK 3 L11: 0.4812 L22: 1.2531 REMARK 3 L33: 0.7336 L12: 0.1863 REMARK 3 L13: 0.3768 L23: 0.0490 REMARK 3 S TENSOR REMARK 3 S11: 0.0782 S12: 0.0122 S13: 0.0263 REMARK 3 S21: 0.0086 S22: -0.0167 S23: -0.1087 REMARK 3 S31: 0.0521 S32: 0.2242 S33: -0.0622 REMARK 3 TLS GROUP : 5 REMARK 3 SELECTION: chain 'A' and (resseq 629:825) REMARK 3 ORIGIN FOR THE GROUP (A): 99.8530 54.7675 37.4286 REMARK 3 T TENSOR REMARK 3 T11: 0.1795 T22: 0.3770 REMARK 3 T33: 0.1906 T12: -0.0313 REMARK 3 T13: 0.0230 T23: -0.0280 REMARK 3 L TENSOR REMARK 3 L11: 0.2514 L22: 0.7637 REMARK 3 L33: 3.3282 L12: 0.3762 REMARK 3 L13: 1.0496 L23: 1.2200 REMARK 3 S TENSOR REMARK 3 S11: 0.0234 S12: 0.0294 S13: 0.0117 REMARK 3 S21: 0.0750 S22: 0.0805 S23: -0.0400 REMARK 3 S31: 0.0464 S32: 0.3455 S33: -0.1154 REMARK 3 TLS GROUP : 6 REMARK 3 SELECTION: chain 'A' and (resseq 826:1194) REMARK 3 ORIGIN FOR THE GROUP (A): 60.4862 65.7410 31.2473 REMARK 3 T TENSOR REMARK 3 T11: 0.1678 T22: 0.3953 REMARK 3 T33: 0.2711 T12: 0.0130 REMARK 3 T13: 0.0456 T23: 0.0588 REMARK 3 L TENSOR REMARK 3 L11: 0.3274 L22: 0.4054 REMARK 3 L33: 1.0604 L12: 0.2575 REMARK 3 L13: 0.3806 L23: 0.1389 REMARK 3 S TENSOR REMARK 3 S11: -0.0400 S12: -0.0346 S13: 0.0801 REMARK 3 S21: -0.0079 S22: 0.0635 S23: 0.1699 REMARK 3 S31: -0.0676 S32: -0.2004 S33: -0.0215 REMARK 3 TLS GROUP : 7 REMARK 3 SELECTION: chain 'A' and (resseq 1195:1295) REMARK 3 ORIGIN FOR THE GROUP (A): 49.6489 69.1267 54.3207 REMARK 3 T TENSOR REMARK 3 T11: 0.3381 T22: 0.4563 REMARK 3 T33: 0.3025 T12: 0.0956 REMARK 3 T13: 0.1473 T23: -0.0420 REMARK 3 L TENSOR REMARK 3 L11: 3.4819 L22: 2.8727 REMARK 3 L33: 6.3719 L12: 1.0347 REMARK 3 L13: 3.1108 L23: -1.7423 REMARK 3 S TENSOR REMARK 3 S11: 0.2680 S12: -0.0952 S13: 0.1032 REMARK 3 S21: 0.1680 S22: -0.2311 S23: 0.3012 REMARK 3 S31: 0.2982 S32: -0.3378 S33: -0.0761 REMARK 3 TLS GROUP : 8 REMARK 3 SELECTION: chain 'B' and (resseq 1:536) REMARK 3 ORIGIN FOR THE GROUP (A): 43.8283 29.9779 57.9552 REMARK 3 T TENSOR REMARK 3 T11: 0.2677 T22: 0.1615 REMARK 3 T33: 0.1616 T12: -0.0592 REMARK 3 T13: 0.0210 T23: 0.0705 REMARK 3 L TENSOR REMARK 3 L11: 2.3499 L22: 0.7061 REMARK 3 L33: 1.9320 L12: 0.1414 REMARK 3 L13: -1.0886 L23: -0.0215 REMARK 3 S TENSOR REMARK 3 S11: 0.1000 S12: 0.2154 S13: -0.0021 REMARK 3 S21: 0.0712 S22: 0.0498 S23: 0.1485 REMARK 3 S31: -0.0263 S32: -0.3379 S33: -0.1352 REMARK 3 TLS GROUP : 9 REMARK 3 SELECTION: chain 'B' and (resseq 537:910) REMARK 3 ORIGIN FOR THE GROUP (A): 64.7320 42.0892 42.9586 REMARK 3 T TENSOR REMARK 3 T11: 0.0722 T22: 0.2557 REMARK 3 T33: 0.0719 T12: 0.0040 REMARK 3 T13: 0.0907 T23: 0.0400 REMARK 3 L TENSOR REMARK 3 L11: 0.7545 L22: 1.2112 REMARK 3 L33: 1.0005 L12: 0.1775 REMARK 3 L13: 0.3657 L23: 0.0935 REMARK 3 S TENSOR REMARK 3 S11: -0.0017 S12: 0.0530 S13: -0.0422 REMARK 3 S21: -0.0193 S22: 0.0507 S23: 0.0861 REMARK 3 S31: 0.0678 S32: -0.0933 S33: -0.0279 REMARK 3 TLS GROUP : 10 REMARK 3 SELECTION: chain 'B' and (resseq 911:1194) REMARK 3 ORIGIN FOR THE GROUP (A): 81.7459 79.2819 52.0714 REMARK 3 T TENSOR REMARK 3 T11: 0.2890 T22: 0.2733 REMARK 3 T33: 0.2643 T12: -0.0385 REMARK 3 T13: 0.0385 T23: -0.0808 REMARK 3 L TENSOR REMARK 3 L11: 1.4704 L22: 2.9572 REMARK 3 L33: 2.0655 L12: -0.4382 REMARK 3 L13: -0.2346 L23: -1.3419 REMARK 3 S TENSOR REMARK 3 S11: 0.1081 S12: -0.0977 S13: 0.4443 REMARK 3 S21: 0.2431 S22: 0.0714 S23: -0.0894 REMARK 3 S31: -0.5326 S32: -0.0615 S33: -0.1090 REMARK 3 TLS GROUP : 11 REMARK 3 SELECTION: chain 'C' and (resseq 0:7) REMARK 3 ORIGIN FOR THE GROUP (A): 123.1994 114.3455 -9.2465 REMARK 3 T TENSOR REMARK 3 T11: 1.2109 T22: 0.9966 REMARK 3 T33: 1.3841 T12: -0.5854 REMARK 3 T13: 0.2416 T23: 0.3747 REMARK 3 L TENSOR REMARK 3 L11: 3.4614 L22: 2.5378 REMARK 3 L33: 1.0563 L12: 0.8307 REMARK 3 L13: 0.7210 L23: -1.2823 REMARK 3 S TENSOR REMARK 3 S11: 0.6705 S12: -0.0810 S13: 1.2600 REMARK 3 S21: -0.0963 S22: -0.3288 S23: -0.2365 REMARK 3 S31: -1.6622 S32: 0.6041 S33: -0.3504 REMARK 3 TLS GROUP : 12 REMARK 3 SELECTION: chain 'C' and (resseq 8:16) REMARK 3 ORIGIN FOR THE GROUP (A): 127.1676 98.1285 -28.3743 REMARK 3 T TENSOR REMARK 3 T11: 1.0203 T22: 1.5943 REMARK 3 T33: 1.2732 T12: -0.1895 REMARK 3 T13: 0.2971 T23: -0.0955 REMARK 3 L TENSOR REMARK 3 L11: 3.7567 L22: 2.8063 REMARK 3 L33: 2.3129 L12: -2.3058 REMARK 3 L13: 0.0910 L23: -1.8498 REMARK 3 S TENSOR REMARK 3 S11: 0.3770 S12: 1.3682 S13: 0.3870 REMARK 3 S21: -0.6255 S22: -0.7225 S23: -0.0145 REMARK 3 S31: 0.4782 S32: -0.0006 S33: 0.2734 REMARK 3 TLS GROUP : 13 REMARK 3 SELECTION: chain 'C' and (resseq 17:33) REMARK 3 ORIGIN FOR THE GROUP (A): 127.9415 106.5982 -7.6077 REMARK 3 T TENSOR REMARK 3 T11: 1.0570 T22: 1.1345 REMARK 3 T33: 0.8508 T12: -0.6254 REMARK 3 T13: 0.2244 T23: 0.1413 REMARK 3 L TENSOR REMARK 3 L11: 2.6754 L22: 0.6763 REMARK 3 L33: 5.8649 L12: -0.1009 REMARK 3 L13: -0.1261 L23: 1.5937 REMARK 3 S TENSOR REMARK 3 S11: 0.3400 S12: -0.0349 S13: 0.5817 REMARK 3 S21: -0.4545 S22: -0.3403 S23: -0.6351 REMARK 3 S31: -0.8533 S32: 0.9549 S33: -0.1660 REMARK 3 TLS GROUP : 14 REMARK 3 SELECTION: chain 'C' and (resseq 34:44) REMARK 3 ORIGIN FOR THE GROUP (A): 116.4608 100.2188 -15.4438 REMARK 3 T TENSOR REMARK 3 T11: 1.1880 T22: 1.3596 REMARK 3 T33: 0.6559 T12: -0.2297 REMARK 3 T13: -0.0723 T23: 0.0551 REMARK 3 L TENSOR REMARK 3 L11: 4.6137 L22: 2.5944 REMARK 3 L33: 8.7869 L12: -1.1719 REMARK 3 L13: -2.3666 L23: -0.4706 REMARK 3 S TENSOR REMARK 3 S11: 0.3345 S12: 0.8795 S13: -0.0190 REMARK 3 S21: -0.7526 S22: -0.5530 S23: 0.0102 REMARK 3 S31: -0.0778 S32: -0.7323 S33: 0.2458 REMARK 3 TLS GROUP : 15 REMARK 3 SELECTION: chain 'C' and (resseq 45:59) REMARK 3 ORIGIN FOR THE GROUP (A): 123.4584 95.9437 -5.9815 REMARK 3 T TENSOR REMARK 3 T11: 0.5770 T22: 1.6187 REMARK 3 T33: 0.6190 T12: -0.4053 REMARK 3 T13: 0.1800 T23: 0.0827 REMARK 3 L TENSOR REMARK 3 L11: 6.1327 L22: 3.5902 REMARK 3 L33: 2.3699 L12: 3.2448 REMARK 3 L13: 3.3459 L23: 1.0458 REMARK 3 S TENSOR REMARK 3 S11: -0.5226 S12: 0.7150 S13: -0.1320 REMARK 3 S21: -0.5508 S22: 0.0669 S23: 0.0135 REMARK 3 S31: 0.4385 S32: -0.4560 S33: 0.4016 REMARK 3 TLS GROUP : 16 REMARK 3 SELECTION: chain 'C' and (resseq 60:67) REMARK 3 ORIGIN FOR THE GROUP (A): 124.2706 89.6305 -14.4307 REMARK 3 T TENSOR REMARK 3 T11: 1.0678 T22: 1.3577 REMARK 3 T33: 1.1647 T12: -0.2153 REMARK 3 T13: 0.3103 T23: -0.1456 REMARK 3 L TENSOR REMARK 3 L11: 2.7239 L22: 1.9718 REMARK 3 L33: 0.9155 L12: -0.5278 REMARK 3 L13: 1.5260 L23: 0.0408 REMARK 3 S TENSOR REMARK 3 S11: -0.0322 S12: 0.6951 S13: -0.3987 REMARK 3 S21: -1.0017 S22: 0.0051 S23: -0.6335 REMARK 3 S31: -0.3704 S32: 1.2758 S33: 0.0537 REMARK 3 TLS GROUP : 17 REMARK 3 SELECTION: chain 'C' and (resseq 68:76) REMARK 3 ORIGIN FOR THE GROUP (A): 133.8699 104.3682 -6.8240 REMARK 3 T TENSOR REMARK 3 T11: 0.8971 T22: 1.5822 REMARK 3 T33: 0.9018 T12: -0.5524 REMARK 3 T13: 0.2335 T23: 0.1118 REMARK 3 L TENSOR REMARK 3 L11: 3.6072 L22: 3.0153 REMARK 3 L33: 0.7803 L12: 1.7616 REMARK 3 L13: -0.6376 L23: -1.5103 REMARK 3 S TENSOR REMARK 3 S11: 0.0330 S12: 0.1980 S13: 0.1342 REMARK 3 S21: -0.1395 S22: -0.3504 S23: -0.8523 REMARK 3 S31: -0.6264 S32: 0.8081 S33: 0.2801 REMARK 3 TLS GROUP : 18 REMARK 3 SELECTION: chain 'C' and (resseq 77:83) REMARK 3 ORIGIN FOR THE GROUP (A): 130.6044 100.5018 -14.2257 REMARK 3 T TENSOR REMARK 3 T11: 1.0783 T22: 1.5740 REMARK 3 T33: 0.8843 T12: -0.5381 REMARK 3 T13: 0.4775 T23: -0.0400 REMARK 3 L TENSOR REMARK 3 L11: 3.2380 L22: 2.6812 REMARK 3 L33: 1.1784 L12: 0.5857 REMARK 3 L13: -0.0152 L23: -1.7447 REMARK 3 S TENSOR REMARK 3 S11: -0.0974 S12: 0.8103 S13: -0.0436 REMARK 3 S21: -0.4883 S22: -0.0466 S23: -0.8170 REMARK 3 S31: -0.1514 S32: 0.9030 S33: 0.1753 REMARK 3 TLS GROUP : 19 REMARK 3 SELECTION: chain 'C' and (resseq 84:101) REMARK 3 ORIGIN FOR THE GROUP (A): 120.0965 97.9899 -15.8908 REMARK 3 T TENSOR REMARK 3 T11: 1.2369 T22: 1.6952 REMARK 3 T33: 0.6997 T12: -0.3007 REMARK 3 T13: 0.1396 T23: 0.0960 REMARK 3 L TENSOR REMARK 3 L11: 0.3360 L22: 0.4505 REMARK 3 L33: 2.2460 L12: -0.1829 REMARK 3 L13: -0.8170 L23: 0.5162 REMARK 3 S TENSOR REMARK 3 S11: 0.0566 S12: 0.5848 S13: -0.2266 REMARK 3 S21: -1.1709 S22: -0.3329 S23: -0.6871 REMARK 3 S31: -0.5170 S32: 0.7709 S33: 0.1891 REMARK 3 TLS GROUP : 20 REMARK 3 SELECTION: chain 'C' and (resseq 102:118) REMARK 3 ORIGIN FOR THE GROUP (A): 116.3865 105.4665 -13.7236 REMARK 3 T TENSOR REMARK 3 T11: 1.3102 T22: 1.3889 REMARK 3 T33: 0.5978 T12: -0.2632 REMARK 3 T13: -0.1677 T23: 0.2103 REMARK 3 L TENSOR REMARK 3 L11: 2.1524 L22: 3.1843 REMARK 3 L33: 5.7369 L12: 0.5695 REMARK 3 L13: -1.0171 L23: 1.2774 REMARK 3 S TENSOR REMARK 3 S11: 0.8381 S12: 0.5380 S13: -0.0236 REMARK 3 S21: -0.9281 S22: -0.3197 S23: 0.1916 REMARK 3 S31: -0.6519 S32: 0.4757 S33: -0.5493 REMARK 3 REMARK 3 NCS DETAILS REMARK 3 NUMBER OF NCS GROUPS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 3V0A COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 13-DEC-11. REMARK 100 THE RCSB ID CODE IS RCSB069432. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 12-MAR-11 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 6.2 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : APS REMARK 200 BEAMLINE : 24-ID-C REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.97918 REMARK 200 MONOCHROMATOR : SI(111) REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM REMARK 200 DATA SCALING SOFTWARE : SCALA REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 109570 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.700 REMARK 200 RESOLUTION RANGE LOW (A) : 49.800 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 13.600 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.9 REMARK 200 DATA REDUNDANCY : 6.200 REMARK 200 R MERGE (I) : 0.12700 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.70 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.85 REMARK 200 COMPLETENESS FOR SHELL (%) : 99.8 REMARK 200 DATA REDUNDANCY IN SHELL : 6.10 REMARK 200 R MERGE FOR SHELL (I) : 0.76800 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 2.700 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHASER REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 62.16 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.25 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 12% PEG MME2000, 16% PENTAERYTHRITOL REMARK 280 PROPOXYLATE(5/4 PO/OH), 0.1 M AMMONIUM SULFATE AND 50MM MES, PH REMARK 280 6.2, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293.0K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 41 21 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z+1/2 REMARK 290 3555 -Y+1/2,X+1/2,Z+1/4 REMARK 290 4555 Y+1/2,-X+1/2,Z+3/4 REMARK 290 5555 -X+1/2,Y+1/2,-Z+1/4 REMARK 290 6555 X+1/2,-Y+1/2,-Z+3/4 REMARK 290 7555 Y,X,-Z REMARK 290 8555 -Y,-X,-Z+1/2 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 162.30150 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 78.04000 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 78.04000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 81.15075 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 78.04000 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 78.04000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 243.45225 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 78.04000 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 78.04000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 81.15075 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 78.04000 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 78.04000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 243.45225 REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 162.30150 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 8690 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 101760 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -27.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 ILE A 435 REMARK 465 THR A 436 REMARK 465 SER A 437 REMARK 465 LYS A 438 REMARK 465 THR A 439 REMARK 465 LYS A 440 REMARK 465 SER A 441 REMARK 465 LEU A 442 REMARK 465 ASP A 443 REMARK 465 LYS A 444 REMARK 465 GLY A 445 REMARK 465 TYR A 446 REMARK 465 ASN A 447 REMARK 465 LYS A 448 REMARK 465 ALA A 449 REMARK 465 LEU A 1296 REMARK 465 GLY B -1 REMARK 465 SER B 0 REMARK 465 GLY B 114 REMARK 465 GLY B 115 REMARK 465 GLY B 116 REMARK 465 TYR B 117 REMARK 465 TYR B 118 REMARK 465 ALA B 119 REMARK 465 PRO B 120 REMARK 465 ASN B 121 REMARK 465 MET B 122 REMARK 465 ILE B 123 REMARK 465 THR B 124 REMARK 465 PHE B 125 REMARK 465 GLY B 126 REMARK 465 SER B 127 REMARK 465 ALA B 128 REMARK 465 PRO B 129 REMARK 465 LYS B 130 REMARK 465 SER B 131 REMARK 465 ASN B 132 REMARK 465 LYS B 133 REMARK 465 LYS B 134 REMARK 465 LEU B 135 REMARK 465 ASN B 136 REMARK 465 SER B 137 REMARK 465 LEU B 138 REMARK 465 ILE B 139 REMARK 465 SER B 140 REMARK 465 SER B 141 REMARK 465 THR B 142 REMARK 465 ILE B 143 REMARK 465 PRO B 144 REMARK 465 PHE B 145 REMARK 465 PRO B 146 REMARK 465 TYR B 147 REMARK 465 ALA B 148 REMARK 465 TYR B 442 REMARK 465 GLU B 443 REMARK 465 TYR B 444 REMARK 465 HIS B 445 REMARK 465 PHE B 446 REMARK 465 ASN B 447 REMARK 465 ASN B 448 REMARK 465 SER B 449 REMARK 465 ASN B 450 REMARK 465 ALA C -8 REMARK 465 MET C -7 REMARK 465 ALA C -6 REMARK 465 ILE C -5 REMARK 465 SER C -4 REMARK 465 ASP C -3 REMARK 465 PRO C -2 REMARK 465 ASN C -1 REMARK 465 SER C 119 REMARK 465 SER C 120 REMARK 465 GLU C 121 REMARK 465 PRO C 122 REMARK 465 LYS C 123 REMARK 465 THR C 124 REMARK 465 PRO C 125 REMARK 465 LYS C 126 REMARK 465 PRO C 127 REMARK 465 GLN C 128 REMARK 465 THR C 129 REMARK 465 SER C 130 REMARK 465 GLY C 131 REMARK 465 ALA C 132 REMARK 465 PRO C 133 REMARK 465 VAL C 134 REMARK 465 PRO C 135 REMARK 465 TYR C 136 REMARK 465 PRO C 137 REMARK 465 ASP C 138 REMARK 465 PRO C 139 REMARK 465 LEU C 140 REMARK 465 GLU C 141 REMARK 465 PRO C 142 REMARK 465 ARG C 143 REMARK 480 REMARK 480 ZERO OCCUPANCY ATOM REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 480 M RES C SSEQI ATOMS REMARK 480 LEU A 450 CD1 CD2 REMARK 480 MET A 646 CG SD CE REMARK 480 LEU A 647 CG CD1 CD2 REMARK 480 TYR A 648 CG CD1 CD2 CE1 CE2 CZ OH REMARK 480 LYS A 649 CG CD CE NZ REMARK 480 ASP A 650 CG OD1 OD2 REMARK 480 LYS A 1187 CG CD CE NZ REMARK 480 ILE A 1231 CG1 CG2 CD1 REMARK 480 THR A 1232 OG1 CG2 REMARK 480 ARG A 1276 CD NE CZ NH1 NH2 REMARK 480 ILE B 113 CG1 CG2 CD1 REMARK 480 ARG B 440 CG CD NE CZ NH1 NH2 REMARK 480 SER B 526 OG REMARK 480 LYS B 527 CD CE NZ REMARK 480 LYS B 529 CG CD CE NZ REMARK 480 SER B 602 OG REMARK 480 GLU B 794 CG CD OE1 OE2 REMARK 480 ASP B 1118 CG OD1 OD2 REMARK 480 ASN B 1119 CG OD1 ND2 REMARK 480 MET B 1120 CG SD CE REMARK 480 GLU B 1121 CG CD OE1 OE2 REMARK 480 LYS B 1138 CG CD CE NZ REMARK 480 GLU B 1172 CG CD OE1 OE2 REMARK 480 ASN B 1173 CG OD1 ND2 REMARK 480 LYS C 64 CG CD CE NZ REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 VAL A 17 -76.24 -112.88 REMARK 500 LYS A 41 -4.10 73.36 REMARK 500 GLU A 491 69.58 61.98 REMARK 500 ASN A 645 -161.02 -165.37 REMARK 500 MET A 646 -144.89 65.79 REMARK 500 LEU A 647 -79.47 -119.34 REMARK 500 ALA A 686 -8.56 68.26 REMARK 500 VAL A 721 -60.67 -123.43 REMARK 500 MET A 800 -60.42 -128.28 REMARK 500 SER A 885 -122.49 50.10 REMARK 500 TYR A1010 -54.76 -122.98 REMARK 500 ASN A1025 -77.18 -132.36 REMARK 500 ILE A1036 -63.19 -98.62 REMARK 500 ASN A1126 -70.65 -53.33 REMARK 500 ASN A1147 -5.59 71.51 REMARK 500 TYR A1165 -63.08 -123.11 REMARK 500 ASN A1172 16.37 53.34 REMARK 500 GLN A1219 -52.12 -129.87 REMARK 500 ILE A1231 -58.78 -129.89 REMARK 500 ASN A1256 -130.82 55.15 REMARK 500 GLU A1272 -120.36 41.02 REMARK 500 SER A1275 -150.84 54.82 REMARK 500 LEU A1278 -64.94 -105.93 REMARK 500 ASN B 2 33.94 -76.88 REMARK 500 LYS B 16 -67.76 -131.86 REMARK 500 ARG B 24 -135.33 48.43 REMARK 500 ASN B 38 -0.08 71.09 REMARK 500 PRO B 43 56.03 -69.30 REMARK 500 ASP B 212 -120.74 60.07 REMARK 500 GLU B 305 -65.57 -106.82 REMARK 500 ILE B 316 -61.59 -104.41 REMARK 500 PRO B 369 38.27 -99.06 REMARK 500 THR B 426 -135.57 44.17 REMARK 500 ASP B 429 120.85 -22.34 REMARK 500 TYR B 676 -61.07 -102.07 REMARK 500 ASN B 760 -55.12 -121.16 REMARK 500 ILE B 873 -71.90 -71.66 REMARK 500 SER B 883 -77.60 -94.92 REMARK 500 ASN B 896 -132.57 59.33 REMARK 500 LYS B 913 -76.80 -125.51 REMARK 500 LEU B 920 -64.99 -103.44 REMARK 500 ASP B 936 -122.60 46.36 REMARK 500 ASP B 982 -128.65 55.55 REMARK 500 LEU B 995 -83.01 -103.13 REMARK 500 SER B 999 -168.25 -129.42 REMARK 500 ASN B1009 -5.87 66.15 REMARK 500 SER B1040 -5.32 91.28 REMARK 500 GLN B1073 -76.83 -112.80 REMARK 500 ASN B1075 32.24 39.27 REMARK 500 LEU B1109 -0.54 81.66 REMARK 500 REMARK 500 THIS ENTRY HAS 54 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A1297 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLU A 262 OE2 REMARK 620 2 HIS A 223 NE2 110.4 REMARK 620 3 GLU A 262 OE1 64.4 96.4 REMARK 620 4 HIS A 227 NE2 76.9 90.7 140.7 REMARK 620 5 HOH A1361 O 109.8 138.9 93.0 106.6 REMARK 620 N 1 2 3 4 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA A1298 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ALA A 575 O REMARK 620 2 ARG A 581 O 88.5 REMARK 620 3 ASN A 578 O 85.0 87.2 REMARK 620 4 HOH A1490 O 170.1 99.0 101.6 REMARK 620 5 HOH A1491 O 83.4 167.7 82.8 90.1 REMARK 620 6 HOH A1333 O 84.2 97.3 168.2 88.5 91.2 REMARK 620 N 1 2 3 4 5 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 1297 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 1298 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 1299 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 1300 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 1301 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 1302 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 1303 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 1304 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC9 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 1305 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 1306 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 1307 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 1308 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 1309 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 1310 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 B 1195 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 B 1196 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 B 1197 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC9 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 B 1198 REMARK 800 REMARK 800 SITE_IDENTIFIER: CC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 B 1199 REMARK 800 REMARK 800 SITE_IDENTIFIER: CC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 B 1200 REMARK 800 REMARK 800 SITE_IDENTIFIER: CC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 B 1201 REMARK 800 REMARK 800 SITE_IDENTIFIER: CC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MES B 1202 REMARK 800 REMARK 800 SITE_IDENTIFIER: CC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MES B 1203 REMARK 800 REMARK 800 SITE_IDENTIFIER: CC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MES B 1204 REMARK 800 REMARK 800 SITE_IDENTIFIER: CC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MES B 1205 REMARK 800 REMARK 800 SITE_IDENTIFIER: CC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 C 144 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 3V0B RELATED DB: PDB REMARK 900 RELATED ID: 3V0C RELATED DB: PDB