REMARK 2 REMARK 2 RESOLUTION. 1.55 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX (PHENIX.REFINE: 1.6.4_486) 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) : 1.55 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 28.09 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.330 REMARK 3 COMPLETENESS FOR RANGE (%) : 98.6 REMARK 3 NUMBER OF REFLECTIONS : 120972 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.181 REMARK 3 R VALUE (WORKING SET) : 0.180 REMARK 3 FREE R VALUE : 0.206 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.010 REMARK 3 FREE R VALUE TEST SET COUNT : 6065 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 28.0901 - 4.8084 0.95 3813 201 0.1846 0.2083 REMARK 3 2 4.8084 - 3.8197 0.98 3867 184 0.1367 0.1532 REMARK 3 3 3.8197 - 3.3377 0.99 3894 196 0.1655 0.2036 REMARK 3 4 3.3377 - 3.0329 1.00 3895 224 0.1715 0.1898 REMARK 3 5 3.0329 - 2.8158 1.00 3895 198 0.1665 0.1863 REMARK 3 6 2.8158 - 2.6499 1.00 3924 194 0.1714 0.2102 REMARK 3 7 2.6499 - 2.5173 1.00 3884 220 0.1715 0.1800 REMARK 3 8 2.5173 - 2.4078 1.00 3888 180 0.1670 0.2036 REMARK 3 9 2.4078 - 2.3151 1.00 3844 232 0.1716 0.1951 REMARK 3 10 2.3151 - 2.2353 1.00 3873 219 0.1793 0.2096 REMARK 3 11 2.2353 - 2.1654 1.00 3895 205 0.1688 0.1862 REMARK 3 12 2.1654 - 2.1035 1.00 3831 205 0.1768 0.2253 REMARK 3 13 2.1035 - 2.0482 1.00 3931 177 0.1919 0.2244 REMARK 3 14 2.0482 - 1.9982 1.00 3867 205 0.1759 0.1902 REMARK 3 15 1.9982 - 1.9528 1.00 3893 200 0.1799 0.1954 REMARK 3 16 1.9528 - 1.9112 1.00 3861 226 0.2092 0.2410 REMARK 3 17 1.9112 - 1.8730 1.00 3849 203 0.1972 0.2085 REMARK 3 18 1.8730 - 1.8377 1.00 3837 201 0.2023 0.2367 REMARK 3 19 1.8377 - 1.8049 1.00 3886 204 0.2023 0.2194 REMARK 3 20 1.8049 - 1.7743 1.00 3882 193 0.2219 0.2541 REMARK 3 21 1.7743 - 1.7457 1.00 3872 191 0.2075 0.2514 REMARK 3 22 1.7457 - 1.7188 0.99 3846 198 0.2087 0.2337 REMARK 3 23 1.7188 - 1.6935 0.99 3825 193 0.2106 0.2237 REMARK 3 24 1.6935 - 1.6697 0.98 3786 224 0.2371 0.2727 REMARK 3 25 1.6697 - 1.6471 0.95 3634 199 0.2341 0.2766 REMARK 3 26 1.6471 - 1.6257 0.94 3657 199 0.2331 0.2890 REMARK 3 27 1.6257 - 1.6054 0.95 3692 198 0.2543 0.2853 REMARK 3 28 1.6054 - 1.5861 0.96 3680 215 0.2991 0.3587 REMARK 3 29 1.5861 - 1.5676 0.95 3687 198 0.3181 0.3534 REMARK 3 30 1.5676 - 1.5500 0.97 3719 183 0.3179 0.3087 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL REMARK 3 SOLVENT RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.65 REMARK 3 K_SOL : 0.42 REMARK 3 B_SOL : 43.46 REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.190 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) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -3.33630 REMARK 3 B22 (A**2) : 0.03420 REMARK 3 B33 (A**2) : 3.30210 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.14810 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 6909 REMARK 3 ANGLE : 1.077 9488 REMARK 3 CHIRALITY : 0.062 1107 REMARK 3 PLANARITY : 0.006 1214 REMARK 3 DIHEDRAL : 11.368 2487 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 8 REMARK 3 TLS GROUP : 1 REMARK 3 SELECTION: chain H and (resid 1:127) REMARK 3 ORIGIN FOR THE GROUP (A): -7.9760 -25.5792 44.8558 REMARK 3 T TENSOR REMARK 3 T11: 0.2629 T22: 0.0307 REMARK 3 T33: 0.0309 T12: -0.0010 REMARK 3 T13: -0.0008 T23: -0.0040 REMARK 3 L TENSOR REMARK 3 L11: 0.9674 L22: 1.3934 REMARK 3 L33: 0.8201 L12: -0.4976 REMARK 3 L13: -0.3637 L23: -0.3554 REMARK 3 S TENSOR REMARK 3 S11: -0.0395 S12: 0.0641 S13: -0.0670 REMARK 3 S21: -0.1451 S22: 0.0357 S23: 0.0513 REMARK 3 S31: 0.0242 S32: -0.0865 S33: 0.0102 REMARK 3 TLS GROUP : 2 REMARK 3 SELECTION: chain H and (resid 128:250) REMARK 3 ORIGIN FOR THE GROUP (A): -17.8004 -20.2557 74.9023 REMARK 3 T TENSOR REMARK 3 T11: 0.3017 T22: 0.1029 REMARK 3 T33: 0.1471 T12: 0.0337 REMARK 3 T13: 0.0012 T23: 0.0008 REMARK 3 L TENSOR REMARK 3 L11: 1.2639 L22: 1.2626 REMARK 3 L33: 0.6357 L12: 0.5220 REMARK 3 L13: 0.0260 L23: 0.0652 REMARK 3 S TENSOR REMARK 3 S11: 0.0301 S12: 0.0381 S13: 0.2205 REMARK 3 S21: 0.0166 S22: -0.0393 S23: 0.2826 REMARK 3 S31: -0.0524 S32: -0.0666 S33: 0.0057 REMARK 3 TLS GROUP : 3 REMARK 3 SELECTION: chain L and (resid 1:112) REMARK 3 ORIGIN FOR THE GROUP (A): -8.6957 -4.3471 42.2603 REMARK 3 T TENSOR REMARK 3 T11: 0.3084 T22: 0.0511 REMARK 3 T33: 0.0412 T12: 0.0130 REMARK 3 T13: 0.0033 T23: -0.0014 REMARK 3 L TENSOR REMARK 3 L11: 0.2863 L22: 2.0169 REMARK 3 L33: 0.3132 L12: 0.1513 REMARK 3 L13: 0.2435 L23: -0.0829 REMARK 3 S TENSOR REMARK 3 S11: -0.0038 S12: 0.0031 S13: 0.0082 REMARK 3 S21: -0.0860 S22: -0.0334 S23: -0.0800 REMARK 3 S31: -0.0350 S32: -0.0234 S33: 0.0271 REMARK 3 TLS GROUP : 4 REMARK 3 SELECTION: chain L and (resid 113:250) REMARK 3 ORIGIN FOR THE GROUP (A): -9.1574 -7.6401 80.4390 REMARK 3 T TENSOR REMARK 3 T11: 0.2697 T22: 0.0612 REMARK 3 T33: 0.0531 T12: -0.0054 REMARK 3 T13: 0.0306 T23: 0.0189 REMARK 3 L TENSOR REMARK 3 L11: 0.7008 L22: 3.0653 REMARK 3 L33: 0.9157 L12: 0.0111 REMARK 3 L13: -0.1043 L23: 0.1217 REMARK 3 S TENSOR REMARK 3 S11: 0.0118 S12: -0.0252 S13: -0.0149 REMARK 3 S21: 0.0171 S22: 0.0095 S23: -0.1779 REMARK 3 S31: 0.0538 S32: -0.0509 S33: -0.0304 REMARK 3 TLS GROUP : 5 REMARK 3 SELECTION: chain I and (resid 1:127) REMARK 3 ORIGIN FOR THE GROUP (A): 23.0231 5.0115 69.1011 REMARK 3 T TENSOR REMARK 3 T11: 0.3095 T22: 0.1013 REMARK 3 T33: 0.0848 T12: -0.0037 REMARK 3 T13: -0.0240 T23: -0.0200 REMARK 3 L TENSOR REMARK 3 L11: 0.8116 L22: 0.7668 REMARK 3 L33: 1.0750 L12: -0.0355 REMARK 3 L13: -0.2950 L23: 0.0976 REMARK 3 S TENSOR REMARK 3 S11: -0.1220 S12: -0.0147 S13: 0.0114 REMARK 3 S21: 0.0340 S22: 0.1000 S23: 0.0305 REMARK 3 S31: -0.0700 S32: -0.0836 S33: 0.0394 REMARK 3 TLS GROUP : 6 REMARK 3 SELECTION: chain I and (resid 128:250) REMARK 3 ORIGIN FOR THE GROUP (A): 22.8761 0.3403 38.3484 REMARK 3 T TENSOR REMARK 3 T11: 0.3055 T22: 0.0892 REMARK 3 T33: 0.0477 T12: -0.0169 REMARK 3 T13: -0.0238 T23: -0.0050 REMARK 3 L TENSOR REMARK 3 L11: 0.8640 L22: 1.5173 REMARK 3 L33: 1.0715 L12: -0.0441 REMARK 3 L13: 0.6020 L23: 0.4377 REMARK 3 S TENSOR REMARK 3 S11: 0.0472 S12: -0.0621 S13: -0.0544 REMARK 3 S21: -0.2319 S22: -0.0280 S23: -0.0288 REMARK 3 S31: -0.1166 S32: -0.1969 S33: -0.0099 REMARK 3 TLS GROUP : 7 REMARK 3 SELECTION: chain M and (resid 1:112) REMARK 3 ORIGIN FOR THE GROUP (A): 21.0466 -16.0539 71.5693 REMARK 3 T TENSOR REMARK 3 T11: 0.2596 T22: 0.0733 REMARK 3 T33: 0.0538 T12: -0.0216 REMARK 3 T13: 0.0080 T23: -0.0096 REMARK 3 L TENSOR REMARK 3 L11: 0.9484 L22: 3.8912 REMARK 3 L33: 0.2207 L12: 0.3600 REMARK 3 L13: 0.0199 L23: -0.6682 REMARK 3 S TENSOR REMARK 3 S11: 0.0516 S12: -0.0864 S13: 0.0525 REMARK 3 S21: 0.4255 S22: -0.0186 S23: 0.1058 REMARK 3 S31: -0.0613 S32: -0.0502 S33: -0.0378 REMARK 3 TLS GROUP : 8 REMARK 3 SELECTION: chain M and (resid 113:250) REMARK 3 ORIGIN FOR THE GROUP (A): 33.2961 -12.6770 35.6546 REMARK 3 T TENSOR REMARK 3 T11: 0.3608 T22: 0.0700 REMARK 3 T33: 0.0509 T12: -0.0250 REMARK 3 T13: -0.0156 T23: 0.0116 REMARK 3 L TENSOR REMARK 3 L11: 0.6308 L22: 1.3438 REMARK 3 L33: 0.6435 L12: -0.4409 REMARK 3 L13: -0.0641 L23: 0.2998 REMARK 3 S TENSOR REMARK 3 S11: 0.0704 S12: 0.0353 S13: 0.0301 REMARK 3 S21: -0.0933 S22: 0.0063 S23: -0.0311 REMARK 3 S31: 0.0829 S32: -0.0451 S33: -0.0631 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 3QHZ COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 02-FEB-11. REMARK 100 THE RCSB ID CODE IS RCSB063668. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 15-JAN-10 REMARK 200 TEMPERATURE (KELVIN) : 80 REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : SSRL REMARK 200 BEAMLINE : BL9-2 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.97 REMARK 200 MONOCHROMATOR : DOUBLE CRYSTAL MONOCHROMATOR REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : MARMOSAIC 325 MM CCD REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 121518 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.550 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.7 REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : NULL 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) : 1.55 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.58 REMARK 200 COMPLETENESS FOR SHELL (%) : 96.5 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL 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: 3LZF (CHAINS H AND L) REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 45.33 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.25 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 22% PEG 4000 AND 150 MM CALCIUM REMARK 280 ACETATE, VAPOR DIFFUSION, TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,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 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 40.47000 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2 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: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 3710 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 20340 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -30.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: 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 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 3470 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 19390 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -25.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: I, M 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 SER H 98A REMARK 465 GLY H 98B REMARK 465 ASP H 98C REMARK 465 SER H 129 REMARK 465 SER H 130 REMARK 465 LYS H 131 REMARK 465 SER H 132 REMARK 465 THR H 133 REMARK 465 SER H 134 REMARK 465 GLY H 135 REMARK 465 GLN L 1 REMARK 465 PCA I 1 REMARK 465 VAL I 2 REMARK 465 GLY I 26 REMARK 465 PHE I 27 REMARK 465 SER I 28 REMARK 465 LEU I 29 REMARK 465 SER I 30 REMARK 465 THR I 31 REMARK 465 SER I 32 REMARK 465 SER I 130 REMARK 465 LYS I 131 REMARK 465 SER I 132 REMARK 465 THR I 133 REMARK 465 SER I 134 REMARK 465 GLY I 135 REMARK 465 SER I 229 REMARK 465 CYS I 230 REMARK 465 ASP I 231 REMARK 465 LYS I 232 REMARK 465 GLN M 1 REMARK 465 PRO M 2 REMARK 465 VAL M 3 REMARK 465 GLU M 213 REMARK 465 CYS M 214 REMARK 465 SER M 215 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 THR H 15 -13.43 78.42 REMARK 500 ASP H 146 60.25 61.78 REMARK 500 THR H 167 -30.40 -130.03 REMARK 500 ASN L 27B -89.35 -109.50 REMARK 500 ASN L 51 -51.85 68.32 REMARK 500 ALA L 68 -119.40 58.25 REMARK 500 LEU L 95 -128.47 54.21 REMARK 500 ASP L 151 -115.50 56.70 REMARK 500 THR I 15 -12.90 80.14 REMARK 500 THR I 200 -33.29 -131.51 REMARK 500 ASN M 27B -88.21 -108.27 REMARK 500 ASN M 51 -48.80 74.28 REMARK 500 ASN M 52 15.87 -144.66 REMARK 500 ALA M 68 -114.47 56.53 REMARK 500 LEU M 95 -138.59 61.31 REMARK 500 ASP M 151 -112.49 58.95 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH H 927 DISTANCE = 5.11 ANGSTROMS REMARK 525 HOH I 673 DISTANCE = 5.14 ANGSTROMS REMARK 525 HOH I 688 DISTANCE = 5.05 ANGSTROMS REMARK 525 HOH I 731 DISTANCE = 5.09 ANGSTROMS REMARK 525 HOH I 843 DISTANCE = 5.91 ANGSTROMS REMARK 525 HOH L 284 DISTANCE = 5.69 ANGSTROMS REMARK 525 HOH L 582 DISTANCE = 5.16 ANGSTROMS REMARK 525 HOH L 929 DISTANCE = 5.80 ANGSTROMS REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 3QHF RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF FAB DEL2D1, A DELETION VARIANT OF ANTI REMARK 900 -INFLUENZA ANTIBODY 2D1