Mass: 24602.377 Da / Num. of mol.: 1 / Fragment: NS2B, RESIDUES 1420-1466,AND NS3,1502-1671 Source method: isolated from a genetically manipulated source Details: RESIDUES SER47 TO PRO91 BELONG TO NS2B, WHICH WE DESIGNATED AS MOLECULE A IN THE ASSOCIATED PUBLICATION. RESIDUES GLY1002 TO GLU1169 (RESIDUE NUMBERS WERE INCREMENTED BY 1000) BELONG TO NS3, ...Details: RESIDUES SER47 TO PRO91 BELONG TO NS2B, WHICH WE DESIGNATED AS MOLECULE A IN THE ASSOCIATED PUBLICATION. RESIDUES GLY1002 TO GLU1169 (RESIDUE NUMBERS WERE INCREMENTED BY 1000) BELONG TO NS3, WHICH WE DESIGNATED AS MOLECULE B IN THE ASSOCIATED PUBLICATION. Source: (gene. exp.) WEST NILE VIRUS / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / Variant (production host): GOLD References: UniProt: P06935, flavivirin, nucleoside-triphosphate phosphatase, RNA helicase
Mass: 18.015 Da / Num. of mol.: 7 / Source method: isolated from a natural source / Formula: H2O
Sequence details
RESIDUES 46-49 REMAINED FROM THE N-TERMINAL HIS TAG AFTER THROMBIN CLEAVAGE. RESIDUES 97-105 BELONG ...RESIDUES 46-49 REMAINED FROM THE N-TERMINAL HIS TAG AFTER THROMBIN CLEAVAGE. RESIDUES 97-105 BELONG TO THE ARTIFICIAL LINKER BETWEEN NS2B AND NS3
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Experimental details
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Experiment
Experiment
Method: X-RAY DIFFRACTION / Number of used crystals: 1
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Sample preparation
Crystal
Density Matthews: 5.19 Å3/Da / Density % sol: 76.3 % / Description: NONE
Resolution: 3.2→102.77 Å / Cor.coef. Fo:Fc: 0.922 / Cor.coef. Fo:Fc free: 0.899 / SU B: 12.294 / SU ML: 0.209 / Cross valid method: THROUGHOUT / ESU R: 0.572 / ESU R Free: 0.297 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.20681
437
4.8 %
RANDOM
Rwork
0.18759
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obs
0.18849
8685
99.73 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK