REMARK 2 REMARK 2 RESOLUTION. 21.00 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 SOFTWARE PACKAGES : EMFIT REMARK 3 RECONSTRUCTION SCHEMA : PROJECTION MATCHING REMARK 3 REMARK 3 EM MAP-MODEL FITTING AND REFINEMENT REMARK 3 PDB ENTRY : 3C6D REMARK 3 REFINEMENT SPACE : REAL REMARK 3 REFINEMENT PROTOCOL : RIGID BODY REMARK 3 REFINEMENT TARGET : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE : NULL REMARK 3 REMARK 3 FITTING PROCEDURE : NULL REMARK 3 REMARK 3 EM IMAGE RECONSTRUCTION STATISTICS REMARK 3 NOMINAL PIXEL SIZE (ANGSTROMS) : 3.720 REMARK 3 ACTUAL PIXEL SIZE (ANGSTROMS) : 3.720 REMARK 3 EFFECTIVE RESOLUTION (ANGSTROMS) : 21.000 REMARK 3 NUMBER OF PARTICLES : 378 REMARK 3 CTF CORRECTION METHOD : FILM REMARK 3 REMARK 3 EM RECONSTRUCTION MAGNIFICATION CALIBRATION: NULL REMARK 3 REMARK 3 OTHER DETAILS: (SINGLE PARTICLE--APPLIED SYMMETRY: I) REMARK 4 REMARK 4 3J42 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 21-JUN-13. REMARK 100 THE RCSB ID CODE IS RCSB160224. REMARK 245 REMARK 245 EXPERIMENTAL DETAILS REMARK 245 RECONSTRUCTION METHOD : SINGLE PARTICLE REMARK 245 SPECIMEN TYPE : VITREOUS ICE (CRYO EM) REMARK 245 REMARK 245 ELECTRON MICROSCOPE SAMPLE REMARK 245 SAMPLE TYPE : PARTICLE REMARK 245 PARTICLE TYPE : ICOSAHEDRAL REMARK 245 NAME OF SAMPLE : HIGH-CONCENTRATION FAB FRAGMENT REMARK 245 OF 2H2 ANTIBODY BINDING TO REMARK 245 IMMATURE DENGUE VIRUS AT PH 7 REMARK 245 SAMPLE CONCENTRATION (MG ML-1) : NULL REMARK 245 SAMPLE SUPPORT DETAILS : QUANTIFOIL 200 MESH REMARK 245 SAMPLE VITRIFICATION DETAILS : PLUNGED INTO LIQUID ETHANE REMARK 245 (HOMEMADE PLUNGER) REMARK 245 SAMPLE BUFFER : 100 MM PHOSPHATE BUFFER REMARK 245 PH : 7.00 REMARK 245 SAMPLE DETAILS : NULL REMARK 245 REMARK 245 DATA ACQUISITION REMARK 245 DATE OF EXPERIMENT : 07-APR-11 REMARK 245 NUMBER OF MICROGRAPHS-IMAGES : 49 REMARK 245 TEMPERATURE (KELVIN) : 100.00 REMARK 245 MICROSCOPE MODEL : FEI/PHILIPS CM200FEG REMARK 245 DETECTOR TYPE : KODAK SO163 FILM REMARK 245 MINIMUM DEFOCUS (NM) : 2000.00 REMARK 245 MAXIMUM DEFOCUS (NM) : 5000.00 REMARK 245 MINIMUM TILT ANGLE (DEGREES) : 0.00 REMARK 245 MAXIMUM TILT ANGLE (DEGREES) : 0.00 REMARK 245 NOMINAL CS : 2.00 REMARK 245 IMAGING MODE : BRIGHT FIELD REMARK 245 ELECTRON DOSE (ELECTRONS NM**-2) : 25.00 REMARK 245 ILLUMINATION MODE : FLOOD BEAM REMARK 245 NOMINAL MAGNIFICATION : 50000 REMARK 245 CALIBRATED MAGNIFICATION : 51040 REMARK 245 SOURCE : FIELD EMISSION GUN REMARK 245 ACCELERATION VOLTAGE (KV) : 200 REMARK 245 IMAGING DETAILS : NULL REMARK 247 REMARK 247 ELECTRON MICROSCOPY REMARK 247 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM ELECTRON REMARK 247 MICROSCOPY DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE REMARK 247 THAT CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES REMARK 247 ON THESE RECORDS ARE MEANINGLESS EXCEPT FOR THE CALCULATION REMARK 247 OF THE STRUCTURE FACTORS. REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,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 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 300 THE ASSEMBLY REPRESENTED IN THIS ENTRY HAS REGULAR REMARK 300 ICOSAHEDRAL POINT SYMMETRY (SCHOENFLIES SYMBOL = I). 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 APPLY THE FOLLOWING TO CHAINS: A, B, C, D, E, F, G, H, I, REMARK 350 AND CHAINS: J, K, 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 BIOMT1 2 0.309017 -0.809017 0.500000 0.00000 REMARK 350 BIOMT2 2 0.809017 0.500000 0.309017 0.00000 REMARK 350 BIOMT3 2 -0.500000 0.309017 0.809017 0.00000 REMARK 350 BIOMT1 3 -0.809017 -0.500000 0.309017 0.00000 REMARK 350 BIOMT2 3 0.500000 -0.309017 0.809017 0.00000 REMARK 350 BIOMT3 3 -0.309017 0.809017 0.500000 0.00000 REMARK 350 BIOMT1 4 -0.809017 0.500000 -0.309017 0.00000 REMARK 350 BIOMT2 4 -0.500000 -0.309017 0.809017 0.00000 REMARK 350 BIOMT3 4 0.309017 0.809017 0.500000 0.00000 REMARK 350 BIOMT1 5 0.309017 0.809017 -0.500000 0.00000 REMARK 350 BIOMT2 5 -0.809017 0.500000 0.309017 0.00000 REMARK 350 BIOMT3 5 0.500000 0.309017 0.809017 0.00000 REMARK 350 BIOMT1 6 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 6 0.000000 -1.000000 0.000000 0.00000 REMARK 350 BIOMT3 6 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 7 -0.309017 0.809017 -0.500000 0.00000 REMARK 350 BIOMT2 7 -0.809017 -0.500000 -0.309017 0.00000 REMARK 350 BIOMT3 7 -0.500000 0.309017 0.809017 0.00000 REMARK 350 BIOMT1 8 0.809017 0.500000 -0.309017 0.00000 REMARK 350 BIOMT2 8 -0.500000 0.309017 -0.809017 0.00000 REMARK 350 BIOMT3 8 -0.309017 0.809017 0.500000 0.00000 REMARK 350 BIOMT1 9 0.809017 -0.500000 0.309017 0.00000 REMARK 350 BIOMT2 9 0.500000 0.309017 -0.809017 0.00000 REMARK 350 BIOMT3 9 0.309017 0.809017 0.500000 0.00000 REMARK 350 BIOMT1 10 -0.309017 -0.809017 0.500000 0.00000 REMARK 350 BIOMT2 10 0.809017 -0.500000 -0.309017 0.00000 REMARK 350 BIOMT3 10 0.500000 0.309017 0.809017 0.00000 REMARK 350 BIOMT1 11 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 11 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 11 0.000000 0.000000 -1.000000 0.00000 REMARK 350 BIOMT1 12 -0.309017 0.809017 -0.500000 0.00000 REMARK 350 BIOMT2 12 0.809017 0.500000 0.309017 0.00000 REMARK 350 BIOMT3 12 0.500000 -0.309017 -0.809017 0.00000 REMARK 350 BIOMT1 13 0.809017 0.500000 -0.309017 0.00000 REMARK 350 BIOMT2 13 0.500000 -0.309017 0.809017 0.00000 REMARK 350 BIOMT3 13 0.309017 -0.809017 -0.500000 0.00000 REMARK 350 BIOMT1 14 0.809017 -0.500000 0.309017 0.00000 REMARK 350 BIOMT2 14 -0.500000 -0.309017 0.809017 0.00000 REMARK 350 BIOMT3 14 -0.309017 -0.809017 -0.500000 0.00000 REMARK 350 BIOMT1 15 -0.309017 -0.809017 0.500000 0.00000 REMARK 350 BIOMT2 15 -0.809017 0.500000 0.309017 0.00000 REMARK 350 BIOMT3 15 -0.500000 -0.309017 -0.809017 0.00000 REMARK 350 BIOMT1 16 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 16 0.000000 -1.000000 0.000000 0.00000 REMARK 350 BIOMT3 16 0.000000 0.000000 -1.000000 0.00000 REMARK 350 BIOMT1 17 0.309017 -0.809017 0.500000 0.00000 REMARK 350 BIOMT2 17 -0.809017 -0.500000 -0.309017 0.00000 REMARK 350 BIOMT3 17 0.500000 -0.309017 -0.809017 0.00000 REMARK 350 BIOMT1 18 -0.809017 -0.500000 0.309017 0.00000 REMARK 350 BIOMT2 18 -0.500000 0.309017 -0.809017 0.00000 REMARK 350 BIOMT3 18 0.309017 -0.809017 -0.500000 0.00000 REMARK 350 BIOMT1 19 -0.809017 0.500000 -0.309017 0.00000 REMARK 350 BIOMT2 19 0.500000 0.309017 -0.809017 0.00000 REMARK 350 BIOMT3 19 -0.309017 -0.809017 -0.500000 0.00000 REMARK 350 BIOMT1 20 0.309017 0.809017 -0.500000 0.00000 REMARK 350 BIOMT2 20 0.809017 -0.500000 -0.309017 0.00000 REMARK 350 BIOMT3 20 -0.500000 -0.309017 -0.809017 0.00000 REMARK 350 BIOMT1 21 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT2 21 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT3 21 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT1 22 -0.500000 0.309017 0.809017 0.00000 REMARK 350 BIOMT2 22 0.309017 -0.809017 0.500000 0.00000 REMARK 350 BIOMT3 22 0.809017 0.500000 0.309017 0.00000 REMARK 350 BIOMT1 23 -0.309017 0.809017 0.500000 0.00000 REMARK 350 BIOMT2 23 -0.809017 -0.500000 0.309017 0.00000 REMARK 350 BIOMT3 23 0.500000 -0.309017 0.809017 0.00000 REMARK 350 BIOMT1 24 0.309017 0.809017 0.500000 0.00000 REMARK 350 BIOMT2 24 -0.809017 0.500000 -0.309017 0.00000 REMARK 350 BIOMT3 24 -0.500000 -0.309017 0.809017 0.00000 REMARK 350 BIOMT1 25 0.500000 0.309017 0.809017 0.00000 REMARK 350 BIOMT2 25 0.309017 0.809017 -0.500000 0.00000 REMARK 350 BIOMT3 25 -0.809017 0.500000 0.309017 0.00000 REMARK 350 BIOMT1 26 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT2 26 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT3 26 0.000000 -1.000000 0.000000 0.00000 REMARK 350 BIOMT1 27 -0.500000 0.309017 0.809017 0.00000 REMARK 350 BIOMT2 27 -0.309017 0.809017 -0.500000 0.00000 REMARK 350 BIOMT3 27 -0.809017 -0.500000 -0.309017 0.00000 REMARK 350 BIOMT1 28 -0.309017 0.809017 0.500000 0.00000 REMARK 350 BIOMT2 28 0.809017 0.500000 -0.309017 0.00000 REMARK 350 BIOMT3 28 -0.500000 0.309017 -0.809017 0.00000 REMARK 350 BIOMT1 29 0.309017 0.809017 0.500000 0.00000 REMARK 350 BIOMT2 29 0.809017 -0.500000 0.309017 0.00000 REMARK 350 BIOMT3 29 0.500000 0.309017 -0.809017 0.00000 REMARK 350 BIOMT1 30 0.500000 0.309017 0.809017 0.00000 REMARK 350 BIOMT2 30 -0.309017 -0.809017 0.500000 0.00000 REMARK 350 BIOMT3 30 0.809017 -0.500000 -0.309017 0.00000 REMARK 350 BIOMT1 31 0.000000 0.000000 -1.000000 0.00000 REMARK 350 BIOMT2 31 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT3 31 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT1 32 0.500000 -0.309017 -0.809017 0.00000 REMARK 350 BIOMT2 32 -0.309017 0.809017 -0.500000 0.00000 REMARK 350 BIOMT3 32 0.809017 0.500000 0.309017 0.00000 REMARK 350 BIOMT1 33 0.309017 -0.809017 -0.500000 0.00000 REMARK 350 BIOMT2 33 0.809017 0.500000 -0.309017 0.00000 REMARK 350 BIOMT3 33 0.500000 -0.309017 0.809017 0.00000 REMARK 350 BIOMT1 34 -0.309017 -0.809017 -0.500000 0.00000 REMARK 350 BIOMT2 34 0.809017 -0.500000 0.309017 0.00000 REMARK 350 BIOMT3 34 -0.500000 -0.309017 0.809017 0.00000 REMARK 350 BIOMT1 35 -0.500000 -0.309017 -0.809017 0.00000 REMARK 350 BIOMT2 35 -0.309017 -0.809017 0.500000 0.00000 REMARK 350 BIOMT3 35 -0.809017 0.500000 0.309017 0.00000 REMARK 350 BIOMT1 36 0.000000 0.000000 -1.000000 0.00000 REMARK 350 BIOMT2 36 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT3 36 0.000000 -1.000000 0.000000 0.00000 REMARK 350 BIOMT1 37 0.500000 -0.309017 -0.809017 0.00000 REMARK 350 BIOMT2 37 0.309017 -0.809017 0.500000 0.00000 REMARK 350 BIOMT3 37 -0.809017 -0.500000 -0.309017 0.00000 REMARK 350 BIOMT1 38 0.309017 -0.809017 -0.500000 0.00000 REMARK 350 BIOMT2 38 -0.809017 -0.500000 0.309017 0.00000 REMARK 350 BIOMT3 38 -0.500000 0.309017 -0.809017 0.00000 REMARK 350 BIOMT1 39 -0.309017 -0.809017 -0.500000 0.00000 REMARK 350 BIOMT2 39 -0.809017 0.500000 -0.309017 0.00000 REMARK 350 BIOMT3 39 0.500000 0.309017 -0.809017 0.00000 REMARK 350 BIOMT1 40 -0.500000 -0.309017 -0.809017 0.00000 REMARK 350 BIOMT2 40 0.309017 0.809017 -0.500000 0.00000 REMARK 350 BIOMT3 40 0.809017 -0.500000 -0.309017 0.00000 REMARK 350 BIOMT1 41 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT2 41 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT3 41 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT1 42 0.809017 0.500000 0.309017 0.00000 REMARK 350 BIOMT2 42 -0.500000 0.309017 0.809017 0.00000 REMARK 350 BIOMT3 42 0.309017 -0.809017 0.500000 0.00000 REMARK 350 BIOMT1 43 0.500000 -0.309017 0.809017 0.00000 REMARK 350 BIOMT2 43 -0.309017 0.809017 0.500000 0.00000 REMARK 350 BIOMT3 43 -0.809017 -0.500000 0.309017 0.00000 REMARK 350 BIOMT1 44 -0.500000 -0.309017 0.809017 0.00000 REMARK 350 BIOMT2 44 0.309017 0.809017 0.500000 0.00000 REMARK 350 BIOMT3 44 -0.809017 0.500000 -0.309017 0.00000 REMARK 350 BIOMT1 45 -0.809017 0.500000 0.309017 0.00000 REMARK 350 BIOMT2 45 0.500000 0.309017 0.809017 0.00000 REMARK 350 BIOMT3 45 0.309017 0.809017 -0.500000 0.00000 REMARK 350 BIOMT1 46 0.000000 -1.000000 0.000000 0.00000 REMARK 350 BIOMT2 46 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT3 46 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT1 47 -0.809017 -0.500000 -0.309017 0.00000 REMARK 350 BIOMT2 47 -0.500000 0.309017 0.809017 0.00000 REMARK 350 BIOMT3 47 -0.309017 0.809017 -0.500000 0.00000 REMARK 350 BIOMT1 48 -0.500000 0.309017 -0.809017 0.00000 REMARK 350 BIOMT2 48 -0.309017 0.809017 0.500000 0.00000 REMARK 350 BIOMT3 48 0.809017 0.500000 -0.309017 0.00000 REMARK 350 BIOMT1 49 0.500000 0.309017 -0.809017 0.00000 REMARK 350 BIOMT2 49 0.309017 0.809017 0.500000 0.00000 REMARK 350 BIOMT3 49 0.809017 -0.500000 0.309017 0.00000 REMARK 350 BIOMT1 50 0.809017 -0.500000 -0.309017 0.00000 REMARK 350 BIOMT2 50 0.500000 0.309017 0.809017 0.00000 REMARK 350 BIOMT3 50 -0.309017 -0.809017 0.500000 0.00000 REMARK 350 BIOMT1 51 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT2 51 0.000000 0.000000 -1.000000 0.00000 REMARK 350 BIOMT3 51 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT1 52 0.809017 0.500000 0.309017 0.00000 REMARK 350 BIOMT2 52 0.500000 -0.309017 -0.809017 0.00000 REMARK 350 BIOMT3 52 -0.309017 0.809017 -0.500000 0.00000 REMARK 350 BIOMT1 53 0.500000 -0.309017 0.809017 0.00000 REMARK 350 BIOMT2 53 0.309017 -0.809017 -0.500000 0.00000 REMARK 350 BIOMT3 53 0.809017 0.500000 -0.309017 0.00000 REMARK 350 BIOMT1 54 -0.500000 -0.309017 0.809017 0.00000 REMARK 350 BIOMT2 54 -0.309017 -0.809017 -0.500000 0.00000 REMARK 350 BIOMT3 54 0.809017 -0.500000 0.309017 0.00000 REMARK 350 BIOMT1 55 -0.809017 0.500000 0.309017 0.00000 REMARK 350 BIOMT2 55 -0.500000 -0.309017 -0.809017 0.00000 REMARK 350 BIOMT3 55 -0.309017 -0.809017 0.500000 0.00000 REMARK 350 BIOMT1 56 0.000000 -1.000000 0.000000 0.00000 REMARK 350 BIOMT2 56 0.000000 0.000000 -1.000000 0.00000 REMARK 350 BIOMT3 56 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT1 57 -0.809017 -0.500000 -0.309017 0.00000 REMARK 350 BIOMT2 57 0.500000 -0.309017 -0.809017 0.00000 REMARK 350 BIOMT3 57 0.309017 -0.809017 0.500000 0.00000 REMARK 350 BIOMT1 58 -0.500000 0.309017 -0.809017 0.00000 REMARK 350 BIOMT2 58 0.309017 -0.809017 -0.500000 0.00000 REMARK 350 BIOMT3 58 -0.809017 -0.500000 0.309017 0.00000 REMARK 350 BIOMT1 59 0.500000 0.309017 -0.809017 0.00000 REMARK 350 BIOMT2 59 -0.309017 -0.809017 -0.500000 0.00000 REMARK 350 BIOMT3 59 -0.809017 0.500000 -0.309017 0.00000 REMARK 350 BIOMT1 60 0.809017 -0.500000 -0.309017 0.00000 REMARK 350 BIOMT2 60 -0.500000 -0.309017 -0.809017 0.00000 REMARK 350 BIOMT3 60 0.309017 0.809017 -0.500000 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 VAL G 134 REMARK 465 CYS G 135 REMARK 465 GLY G 136 REMARK 465 ASP G 137 REMARK 465 THR G 138 REMARK 465 VAL I 134 REMARK 465 CYS I 135 REMARK 465 GLY I 136 REMARK 465 ASP I 137 REMARK 465 THR I 138 REMARK 465 VAL K 134 REMARK 465 CYS K 135 REMARK 465 GLY K 136 REMARK 465 ASP K 137 REMARK 465 THR K 138 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 CA LYS E 26 O TYR G 102 1.07 REMARK 500 CB ASP H 1060 CB THR I 78 1.08 REMARK 500 CA LYS E 26 C TYR G 102 1.12 REMARK 500 CA PHE E 25 CD1 TYR G 102 1.20 REMARK 500 CG ARG H 1054 CG LYS I 76 1.27 REMARK 500 CA HIS D 2 OH TYR I 102 1.40 REMARK 500 CD ARG H 1054 CG LYS I 76 1.41 REMARK 500 CA LYS E 26 N PRO G 103 1.41 REMARK 500 OD2 ASP H 1060 O THR I 78 1.42 REMARK 500 CG ARG H 1054 CD LYS I 76 1.44 REMARK 500 OG SER H 1076 CE LYS I 19 1.47 REMARK 500 CA PHE E 25 CG TYR G 102 1.58 REMARK 500 OD2 ASP H 1060 C THR I 78 1.66 REMARK 500 CD ARG H 1054 CD LYS I 76 1.67 REMARK 500 OD1 ASP H 1060 CB ASP I 73 1.74 REMARK 500 CG ARG H 1054 CE LYS I 76 1.75 REMARK 500 CA LYS E 26 CD PRO G 103 1.75 REMARK 500 OG SER H 1076 NZ LYS I 19 1.75 REMARK 500 CB ASP H 1060 OG1 THR I 78 1.78 REMARK 500 OG SER H 1077 O LYS I 19 1.80 REMARK 500 O ASP H 1060 CZ PHE I 80 1.90 REMARK 500 CB SER H 1076 CE LYS I 19 1.90 REMARK 500 CG ARG H 1054 NZ LYS I 76 1.95 REMARK 500 CA PHE E 25 CB TYR G 102 2.02 REMARK 500 CB ARG H 1054 CG LYS I 76 2.02 REMARK 500 NE ARG H 1054 OD2 ASP I 73 2.02 REMARK 500 O VAL L 1033 O GLY L 1050 2.04 REMARK 500 O VAL J 1033 O GLY J 1050 2.04 REMARK 500 O VAL H 1033 O GLY H 1050 2.04 REMARK 500 CG ASP H 1060 CB THR I 78 2.06 REMARK 500 NE2 GLN H 1079 OG SER I 7 2.06 REMARK 500 O SER H 1076 CE LYS I 19 2.12 REMARK 500 OG1 THR H 1182 OD1 ASP H 1184 2.12 REMARK 500 OG1 THR L 1182 OD1 ASP L 1184 2.12 REMARK 500 OG1 THR J 1182 OD1 ASP J 1184 2.13 REMARK 500 CB ASP H 1060 CG2 THR I 78 2.14 REMARK 500 NH2 ARG G 67 OD2 ASP G 90 2.17 REMARK 500 NH2 ARG K 67 OD2 ASP K 90 2.17 REMARK 500 NH2 ARG I 67 OD2 ASP I 90 2.17 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 TYR H1092 CZ TYR H1092 CE2 -0.081 REMARK 500 TYR J1092 CZ TYR J1092 CE2 -0.080 REMARK 500 TYR L1092 CZ TYR L1092 CE2 -0.080 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 LEU H1047 CA - CB - CG ANGL. DEV. = 17.1 DEGREES REMARK 500 LEU J1047 CA - CB - CG ANGL. DEV. = 17.0 DEGREES REMARK 500 LEU L1047 CA - CB - CG ANGL. DEV. = 17.0 DEGREES REMARK 500 REMARK 500 REMARK: NULL 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 GLU G 42 72.70 -150.65 REMARK 500 LYS G 43 -172.56 152.08 REMARK 500 SER G 141 -58.40 72.45 REMARK 500 SER G 167 -75.38 -107.52 REMARK 500 THR H1031 18.93 59.55 REMARK 500 ALA H1068 -99.74 58.59 REMARK 500 ALA H1130 85.08 -158.32 REMARK 500 GLU I 42 72.72 -150.65 REMARK 500 LYS I 43 -172.52 152.12 REMARK 500 SER I 141 -58.33 72.38 REMARK 500 SER I 167 -75.41 -107.48 REMARK 500 THR J1031 18.97 59.53 REMARK 500 ALA J1068 -99.75 58.59 REMARK 500 ALA J1130 85.11 -158.31 REMARK 500 GLU K 42 72.74 -150.61 REMARK 500 LYS K 43 -172.54 152.12 REMARK 500 SER K 141 -58.39 72.42 REMARK 500 SER K 167 -75.32 -107.51 REMARK 500 THR L1031 19.04 59.49 REMARK 500 ALA L1068 -99.72 58.59 REMARK 500 ALA L1130 85.11 -158.34 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: EMD-5674 RELATED DB: EMDB REMARK 900 RELATED ID: 3C6D RELATED DB: PDB REMARK 900 RELATED ID: 4KVC RELATED DB: PDB REMARK 999 REMARK 999 SEQUENCE REMARK 999 2H2 HEAVY CHAIN FAB IS A CHIMERA COMPRISING RESIDUES 17-119 OF UNP REMARK 999 P01783 AND RESIDUES 120-230 OF UNP Q6PIP8 CONNECTED BY A HIS-TYR REMARK 999 LINKER. 2H2 LIGHT CHAIN FAB IS A CHIMERA COMPRISING RESIDUES 30-136 REMARK 999 OF UNP P01634 AND RESIDUES 130-234 OF UNP Q7TS98.