8JIX
Crystal structure of the Bagaza virus helicase and structure-based discovery of a novel inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL10U2 |
Synchrotron site | SSRF |
Beamline | BL10U2 |
Temperature [K] | 289.15 |
Detector technology | PIXEL |
Collection date | 2022-09-28 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.987 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.435, 71.196, 115.854 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.320 - 1.710 |
Rwork | 0.182 |
R-free | 0.20420 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.320 | 1.771 |
High resolution limit [Å] | 1.710 | 1.710 |
Rmerge | 0.095 | 0.504 |
Number of reflections | 49987 | 7273 |
<I/σ(I)> | 13.85 | |
Completeness [%] | 97.2 | |
Redundancy | 1.96 | |
CC(1/2) | 0.902 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289.15 | 0.2 M Sodium malonate, pH 6.0,20% w/v Polyethylene glycol 3,350 |