7XT0
Crystal structure of RNA helicase from Saint Louis encephalitis virus and discovery of its inhibitors
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-11-12 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.987 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.467, 80.656, 104.761 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.970 - 2.480 |
R-factor | 0.2065 |
Rwork | 0.203 |
R-free | 0.27430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2v8o |
RMSD bond length | 0.008 |
RMSD bond angle | 1.675 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | HKL-3000 |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.570 |
High resolution limit [Å] | 2.480 | 2.480 |
Rmerge | 0.113 | 0.113 |
Number of reflections | 38975 | 16033 |
<I/σ(I)> | 13.4 | |
Completeness [%] | 84.8 | |
Redundancy | 9.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289.15 | magnesium chloride hexahydrate, Hepes, pH 7.0, PEG 3350, nickel chloride hexahydrate |