8HVK
Crystal structure of SARS-Cov-2 main protease G15S mutant in complex with PF07321332
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL02U1 |
Synchrotron site | SSRF |
Beamline | BL02U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-10-03 |
Detector | DECTRIS EIGER2 S 9M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 55.866, 99.613, 59.484 |
Unit cell angles | 90.00, 108.62, 90.00 |
Refinement procedure
Resolution | 49.810 - 1.630 |
R-factor | 0.201386487507 |
Rwork | 0.201 |
R-free | 0.21529 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.243 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.810 | 1.720 |
High resolution limit [Å] | 1.630 | 1.630 |
Rmerge | 0.035 | 0.541 |
Number of reflections | 76050 | 11202 |
<I/σ(I)> | 26.1 | |
Completeness [%] | 95.9 | |
Redundancy | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20~24%PEG3350,0.12~0.21M sodium sulfate |