REMARK 2 REMARK 2 RESOLUTION. 3.26 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX (PHENIX.REFINE: 1.8_1069) 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) : 3.26 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 29.71 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.330 REMARK 3 COMPLETENESS FOR RANGE (%) : 98.3 REMARK 3 NUMBER OF REFLECTIONS : 15346 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.229 REMARK 3 R VALUE (WORKING SET) : 0.227 REMARK 3 FREE R VALUE : 0.267 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.990 REMARK 3 FREE R VALUE TEST SET COUNT : 765 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 29.7119 - 5.5575 0.99 3089 166 0.2177 0.2531 REMARK 3 2 5.5575 - 4.4158 1.00 2951 156 0.2057 0.2430 REMARK 3 3 4.4158 - 3.8590 1.00 2919 150 0.2319 0.2716 REMARK 3 4 3.8590 - 3.5068 1.00 2905 157 0.2677 0.3551 REMARK 3 5 3.5068 - 3.2557 0.93 2717 136 0.2898 0.3154 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL REMARK 3 SOLVENT RADIUS : 1.11 REMARK 3 SHRINKAGE RADIUS : 0.90 REMARK 3 K_SOL : NULL REMARK 3 B_SOL : NULL REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.400 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : NULL REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 147.10 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL 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 : 0.010 6000 REMARK 3 ANGLE : 1.642 8134 REMARK 3 CHIRALITY : 0.077 907 REMARK 3 PLANARITY : 0.010 1043 REMARK 3 DIHEDRAL : 13.261 2162 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 15 REMARK 3 TLS GROUP : 1 REMARK 3 SELECTION: chain 'G' and (resid 44 through 83 ) REMARK 3 ORIGIN FOR THE GROUP (A): 12.0196 10.0278 -50.5350 REMARK 3 T TENSOR REMARK 3 T11: 1.9752 T22: 1.1496 REMARK 3 T33: 0.9487 T12: -0.0481 REMARK 3 T13: -0.2098 T23: 0.2521 REMARK 3 L TENSOR REMARK 3 L11: 3.6464 L22: 3.8186 REMARK 3 L33: 7.5708 L12: 0.7791 REMARK 3 L13: 1.5032 L23: 0.7638 REMARK 3 S TENSOR REMARK 3 S11: -0.1141 S12: 0.6846 S13: 0.4232 REMARK 3 S21: -1.0834 S22: -0.5464 S23: -0.2357 REMARK 3 S31: 0.7860 S32: 1.3774 S33: 0.7137 REMARK 3 TLS GROUP : 2 REMARK 3 SELECTION: chain 'G' and (resid 84 through 115 ) REMARK 3 ORIGIN FOR THE GROUP (A): 13.2721 3.7611 -38.3274 REMARK 3 T TENSOR REMARK 3 T11: 1.2614 T22: 1.2341 REMARK 3 T33: 0.8303 T12: -0.0244 REMARK 3 T13: 0.0618 T23: 0.1965 REMARK 3 L TENSOR REMARK 3 L11: 6.6721 L22: 8.0432 REMARK 3 L33: 6.4790 L12: 0.6778 REMARK 3 L13: 2.0081 L23: -0.4539 REMARK 3 S TENSOR REMARK 3 S11: 0.4984 S12: -0.2528 S13: 0.5854 REMARK 3 S21: -0.0091 S22: -1.4190 S23: -0.4042 REMARK 3 S31: 0.4983 S32: 1.1362 S33: 0.9464 REMARK 3 TLS GROUP : 3 REMARK 3 SELECTION: chain 'G' and (resid 116 through 215 ) REMARK 3 ORIGIN FOR THE GROUP (A): -4.3332 -6.5491 -55.5350 REMARK 3 T TENSOR REMARK 3 T11: 2.5531 T22: 1.4449 REMARK 3 T33: 1.0337 T12: 0.3874 REMARK 3 T13: -0.3728 T23: 0.1519 REMARK 3 L TENSOR REMARK 3 L11: 9.5746 L22: 3.4031 REMARK 3 L33: 0.0163 L12: 5.2084 REMARK 3 L13: -0.9731 L23: 0.2269 REMARK 3 S TENSOR REMARK 3 S11: 0.8593 S12: 0.0370 S13: 0.5410 REMARK 3 S21: -0.8254 S22: -0.3381 S23: 0.7668 REMARK 3 S31: -0.6232 S32: -0.4748 S33: 0.0475 REMARK 3 TLS GROUP : 4 REMARK 3 SELECTION: chain 'G' and (resid 216 through 283 ) REMARK 3 ORIGIN FOR THE GROUP (A): 20.1838 -0.9141 -38.7511 REMARK 3 T TENSOR REMARK 3 T11: 1.4069 T22: 1.3557 REMARK 3 T33: 1.3152 T12: -0.1182 REMARK 3 T13: -0.2317 T23: 0.4887 REMARK 3 L TENSOR REMARK 3 L11: 3.3677 L22: 6.0662 REMARK 3 L33: 7.0960 L12: 2.3937 REMARK 3 L13: -1.4378 L23: -1.4288 REMARK 3 S TENSOR REMARK 3 S11: 0.1000 S12: -0.7757 S13: -0.5352 REMARK 3 S21: 0.2872 S22: -1.0157 S23: -1.8984 REMARK 3 S31: -0.9262 S32: 1.6511 S33: 0.8306 REMARK 3 TLS GROUP : 5 REMARK 3 SELECTION: chain 'G' and (resid 284 through 334 ) REMARK 3 ORIGIN FOR THE GROUP (A): 15.8938 -18.1987 -55.4896 REMARK 3 T TENSOR REMARK 3 T11: 2.4095 T22: 0.9737 REMARK 3 T33: 1.5339 T12: -0.1333 REMARK 3 T13: 0.4902 T23: 0.4795 REMARK 3 L TENSOR REMARK 3 L11: 7.9823 L22: 4.2728 REMARK 3 L33: 6.8065 L12: 2.5101 REMARK 3 L13: 2.2278 L23: -0.5463 REMARK 3 S TENSOR REMARK 3 S11: -0.8366 S12: 1.9683 S13: -2.8641 REMARK 3 S21: -2.4589 S22: 0.6524 S23: -2.9326 REMARK 3 S31: -1.7189 S32: 1.6401 S33: 1.8151 REMARK 3 TLS GROUP : 6 REMARK 3 SELECTION: chain 'G' and (resid 335 through 456 ) REMARK 3 ORIGIN FOR THE GROUP (A): 13.4674 -19.4078 -47.6627 REMARK 3 T TENSOR REMARK 3 T11: 1.8769 T22: 0.9975 REMARK 3 T33: 1.1358 T12: 0.2214 REMARK 3 T13: 0.4639 T23: 0.3031 REMARK 3 L TENSOR REMARK 3 L11: 5.4038 L22: 5.1605 REMARK 3 L33: 5.1215 L12: 2.4801 REMARK 3 L13: -2.2248 L23: 0.8378 REMARK 3 S TENSOR REMARK 3 S11: -0.6564 S12: 0.1605 S13: -0.8853 REMARK 3 S21: -1.1480 S22: -0.2574 S23: -1.0420 REMARK 3 S31: 0.6751 S32: 0.8490 S33: 1.0533 REMARK 3 TLS GROUP : 7 REMARK 3 SELECTION: chain 'G' and (resid 457 through 491 ) REMARK 3 ORIGIN FOR THE GROUP (A): 15.0860 -10.4031 -34.9854 REMARK 3 T TENSOR REMARK 3 T11: 1.0582 T22: 1.3387 REMARK 3 T33: 1.3885 T12: 0.0980 REMARK 3 T13: 0.0376 T23: 0.6851 REMARK 3 L TENSOR REMARK 3 L11: 1.5007 L22: 3.0017 REMARK 3 L33: 5.1590 L12: 0.8757 REMARK 3 L13: -1.9394 L23: 1.6989 REMARK 3 S TENSOR REMARK 3 S11: -1.0190 S12: -0.3143 S13: -1.3767 REMARK 3 S21: 0.1943 S22: -0.3229 S23: -1.0234 REMARK 3 S31: 0.1672 S32: 0.8870 S33: 1.1885 REMARK 3 TLS GROUP : 8 REMARK 3 SELECTION: chain 'H' and (resid 2 through 87 ) REMARK 3 ORIGIN FOR THE GROUP (A): -2.5187 -25.7134 -27.0053 REMARK 3 T TENSOR REMARK 3 T11: 1.1214 T22: 0.9435 REMARK 3 T33: 0.4999 T12: 0.1153 REMARK 3 T13: 0.0886 T23: 0.0135 REMARK 3 L TENSOR REMARK 3 L11: 4.9104 L22: 8.0527 REMARK 3 L33: 7.0446 L12: 3.3554 REMARK 3 L13: 0.8050 L23: 1.0048 REMARK 3 S TENSOR REMARK 3 S11: 0.1586 S12: 0.1096 S13: -0.0928 REMARK 3 S21: -1.4920 S22: -0.6628 S23: -0.2650 REMARK 3 S31: 0.0284 S32: -0.6198 S33: 0.5743 REMARK 3 TLS GROUP : 9 REMARK 3 SELECTION: chain 'H' and (resid 88 through 115 ) REMARK 3 ORIGIN FOR THE GROUP (A): -2.1566 -18.2695 -19.9403 REMARK 3 T TENSOR REMARK 3 T11: 1.8210 T22: 1.1759 REMARK 3 T33: 0.8503 T12: 0.2279 REMARK 3 T13: -0.1361 T23: -0.1082 REMARK 3 L TENSOR REMARK 3 L11: 5.4194 L22: 8.8799 REMARK 3 L33: 5.6471 L12: 1.9232 REMARK 3 L13: 0.7281 L23: 3.3723 REMARK 3 S TENSOR REMARK 3 S11: 0.4629 S12: -1.1892 S13: 1.3599 REMARK 3 S21: 0.0845 S22: -1.5367 S23: -0.0264 REMARK 3 S31: -2.0186 S32: -1.3245 S33: 0.5189 REMARK 3 TLS GROUP : 10 REMARK 3 SELECTION: chain 'H' and (resid 116 through 207 ) REMARK 3 ORIGIN FOR THE GROUP (A): -19.5368 -43.6386 -1.0651 REMARK 3 T TENSOR REMARK 3 T11: 0.8282 T22: 0.9632 REMARK 3 T33: 0.6405 T12: 0.0213 REMARK 3 T13: -0.0304 T23: 0.1281 REMARK 3 L TENSOR REMARK 3 L11: 5.8329 L22: 7.1937 REMARK 3 L33: 9.5558 L12: 1.1823 REMARK 3 L13: -5.1504 L23: 2.9235 REMARK 3 S TENSOR REMARK 3 S11: -0.2941 S12: 0.7798 S13: 0.4038 REMARK 3 S21: -0.5480 S22: 0.4223 S23: 0.4181 REMARK 3 S31: -0.3686 S32: -0.5175 S33: -0.1026 REMARK 3 TLS GROUP : 11 REMARK 3 SELECTION: chain 'H' and (resid 208 through 216 ) REMARK 3 ORIGIN FOR THE GROUP (A): -28.0000 -46.4566 -4.5089 REMARK 3 T TENSOR REMARK 3 T11: 0.9387 T22: 1.6273 REMARK 3 T33: 1.0339 T12: -0.4088 REMARK 3 T13: 0.0560 T23: 0.3712 REMARK 3 L TENSOR REMARK 3 L11: 3.2591 L22: 2.6332 REMARK 3 L33: 3.4631 L12: 0.5406 REMARK 3 L13: -3.0416 L23: -0.0345 REMARK 3 S TENSOR REMARK 3 S11: -0.1679 S12: 1.2381 S13: 4.3303 REMARK 3 S21: -0.2510 S22: 0.0082 S23: 1.7714 REMARK 3 S31: -3.2033 S32: -2.1213 S33: 0.3535 REMARK 3 TLS GROUP : 12 REMARK 3 SELECTION: chain 'L' and (resid 3 through 59 ) REMARK 3 ORIGIN FOR THE GROUP (A): 4.6740 -16.7885 -5.5575 REMARK 3 T TENSOR REMARK 3 T11: 1.7139 T22: 1.2217 REMARK 3 T33: 0.8716 T12: -0.4914 REMARK 3 T13: -0.3021 T23: 0.0962 REMARK 3 L TENSOR REMARK 3 L11: 7.5231 L22: 6.7730 REMARK 3 L33: 3.2193 L12: 0.2477 REMARK 3 L13: 2.0998 L23: -3.2365 REMARK 3 S TENSOR REMARK 3 S11: -0.3110 S12: -0.8921 S13: 0.3760 REMARK 3 S21: 2.0502 S22: -0.7909 S23: -1.0032 REMARK 3 S31: -0.9207 S32: 0.2238 S33: 0.8028 REMARK 3 TLS GROUP : 13 REMARK 3 SELECTION: chain 'L' and (resid 60 through 73 ) REMARK 3 ORIGIN FOR THE GROUP (A): 12.1465 -12.6091 -3.4288 REMARK 3 T TENSOR REMARK 3 T11: 2.4126 T22: 1.9737 REMARK 3 T33: 1.5116 T12: -0.5357 REMARK 3 T13: -0.8399 T23: 0.4066 REMARK 3 L TENSOR REMARK 3 L11: 4.7679 L22: 8.0220 REMARK 3 L33: 7.5354 L12: -5.4409 REMARK 3 L13: -3.6586 L23: 1.4914 REMARK 3 S TENSOR REMARK 3 S11: 0.3734 S12: 1.2520 S13: 0.0786 REMARK 3 S21: 2.0537 S22: -1.1154 S23: -1.5817 REMARK 3 S31: -0.0057 S32: 1.7950 S33: 0.5847 REMARK 3 TLS GROUP : 14 REMARK 3 SELECTION: chain 'L' and (resid 74 through 109 ) REMARK 3 ORIGIN FOR THE GROUP (A): 1.0732 -22.3603 -0.5173 REMARK 3 T TENSOR REMARK 3 T11: 1.6690 T22: 1.3366 REMARK 3 T33: 0.9873 T12: -0.3228 REMARK 3 T13: -0.2673 T23: -0.0916 REMARK 3 L TENSOR REMARK 3 L11: 1.7053 L22: 4.3085 REMARK 3 L33: 6.6151 L12: 0.2934 REMARK 3 L13: -0.7434 L23: -8.6897 REMARK 3 S TENSOR REMARK 3 S11: 0.0597 S12: 0.8292 S13: 0.6748 REMARK 3 S21: 2.3798 S22: -0.4971 S23: -0.8252 REMARK 3 S31: -1.5133 S32: -1.3016 S33: 0.5216 REMARK 3 TLS GROUP : 15 REMARK 3 SELECTION: chain 'L' and (resid 110 through 208 ) REMARK 3 ORIGIN FOR THE GROUP (A): -7.9816 -49.3557 8.6456 REMARK 3 T TENSOR REMARK 3 T11: 0.9139 T22: 1.0815 REMARK 3 T33: 0.9022 T12: 0.0485 REMARK 3 T13: 0.1415 T23: 0.2848 REMARK 3 L TENSOR REMARK 3 L11: 5.0866 L22: 6.6817 REMARK 3 L33: 10.0144 L12: 3.6434 REMARK 3 L13: 2.1645 L23: 0.7820 REMARK 3 S TENSOR REMARK 3 S11: -0.1714 S12: -0.5769 S13: -0.3971 REMARK 3 S21: 0.0623 S22: 0.0862 S23: -0.1706 REMARK 3 S31: -0.3507 S32: 0.4749 S33: 0.0827 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 4JDT COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 27-FEB-13. REMARK 100 THE RCSB ID CODE IS RCSB077920. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 17-OCT-12 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 6.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : SSRL REMARK 200 BEAMLINE : BL12-2 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.033 REMARK 200 MONOCHROMATOR : LIQUID NITROGEN-COOLED DOUBLE REMARK 200 CRYSTAL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : PIXEL REMARK 200 DETECTOR MANUFACTURER : DECTRIS PILATUS 6M REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XSCALE REMARK 200 DATA SCALING SOFTWARE : XSCALE REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 15409 REMARK 200 RESOLUTION RANGE HIGH (A) : 3.256 REMARK 200 RESOLUTION RANGE LOW (A) : 29.711 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.4 REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : 0.07500 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) : 3.26 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 3.43 REMARK 200 COMPLETENESS FOR SHELL (%) : 91.4 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : 0.78900 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL 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: 3U7Y, 3U7W REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 54.34 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.69 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PEG 10000, AMMONIUM SULFATE, BIS-TRIS, REMARK 280 ISOPROPANOL , PH 6.5, VAPOR DIFFUSION, TEMPERATURE 298K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z 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 32.83200 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 103.88400 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 34.90750 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 103.88400 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 32.83200 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 34.90750 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 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 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: G, H, L 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 GLY G 318 REMARK 465 GLY G 319 REMARK 465 SER G 320 REMARK 465 GLY G 321 REMARK 465 SER G 322 REMARK 465 GLY G 323 REMARK 465 GLY G 324 REMARK 465 ASP G 325 REMARK 465 GLY G 403 REMARK 465 ASN G 404 REMARK 465 GLU G 405 REMARK 465 THR G 406 REMARK 465 MET G 407 REMARK 465 LYS G 408 REMARK 465 GLY G 409 REMARK 465 CYS G 410 REMARK 465 GLU G 492 REMARK 465 GLY G 493 REMARK 465 SER G 494 REMARK 465 HIS G 495 REMARK 465 HIS G 496 REMARK 465 HIS G 497 REMARK 465 HIS G 498 REMARK 465 HIS G 499 REMARK 465 HIS G 500 REMARK 465 GLN H 1 REMARK 465 THR H 99 REMARK 465 ALA H 99A REMARK 465 ARG H 99B REMARK 465 ASP H 99C REMARK 465 SER H 131 REMARK 465 SER H 132 REMARK 465 LYS H 133 REMARK 465 SER H 134 REMARK 465 THR H 135 REMARK 465 SER H 136 REMARK 465 GLY H 137 REMARK 465 GLY H 138 REMARK 465 GLY H 194 REMARK 465 THR H 195 REMARK 465 PRO H 217 REMARK 465 LYS H 218 REMARK 465 SER H 219 REMARK 465 CYS H 220 REMARK 465 ASP H 221 REMARK 465 LYS H 222 REMARK 465 THR H 223 REMARK 465 HIS H 224 REMARK 465 GLU L 1 REMARK 465 ILE L 2 REMARK 465 GLU L 209 REMARK 465 CYS L 210 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 LYS G 46 CB CG CD CE NZ REMARK 480 GLN G 82 CB CG CD OE1 NE2 REMARK 480 GLU G 83 CB CG CD OE1 OE2 REMARK 480 GLU G 87 CB CG CD OE1 OE2 REMARK 480 LYS G 97 CB CG CD CE NZ REMARK 480 LYS G 121 CB CG CD CE NZ REMARK 480 LYS G 231 CB CG CD CE NZ REMARK 480 LYS G 240 CB CG CD CE NZ REMARK 480 GLU G 267 CB CG CD OE1 OE2 REMARK 480 LYS G 290 CB CG CD CE NZ REMARK 480 ARG G 327 CB CG CD NE CZ NH1 NH2 REMARK 480 LYS G 328 CB CG CD CE NZ REMARK 480 LYS G 337 CB CG CD CE NZ REMARK 480 LYS G 340 CB CG CD CE NZ REMARK 480 ARG G 379 CB CG CD NE CZ NH1 NH2 REMARK 480 LYS G 419 CB CG CD CE NZ REMARK 480 LYS H 19 CB CG CD CE NZ REMARK 480 ARG H 83 CB CG CD NE CZ NH1 NH2 REMARK 480 ARG L 24 CB CG CD NE CZ NH1 NH2 REMARK 480 GLN L 40 CB CG CD OE1 NE2 REMARK 480 LYS L 97 CB CG CD CE NZ REMARK 480 LYS L 103 CB CG CD CE NZ REMARK 480 LYS L 122 CB CG CD CE NZ REMARK 480 ARG L 138 CB CG CD NE CZ NH1 NH2 REMARK 480 LYS L 184 CB CG CD CE NZ REMARK 480 LYS L 186 CB CG CD CE NZ REMARK 480 VAL L 187 CB CG1 CG2 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 GLN G 258 -58.03 72.92 REMARK 500 ASN G 461 -123.23 57.79 REMARK 500 TYR L 89 -123.87 54.59 REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 G 601 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAG G 602 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 4JDV RELATED DB: PDB