8WZQ
Crystal structure of SARS-Cov-2 main protease V186F mutant in complex with CCF0058981
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 | 2023-07-23 |
| Detector | DECTRIS EIGER2 S 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.518, 98.055, 58.831 |
| Unit cell angles | 90.00, 108.12, 90.00 |
Refinement procedure
| Resolution | 55.910 - 1.660 |
| R-factor | 0.187413983131 |
| Rwork | 0.186 |
| R-free | 0.21664 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.814 |
| 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] | 55.910 | 1.750 |
| High resolution limit [Å] | 1.660 | 1.660 |
| Rmerge | 0.071 | 0.566 |
| Number of reflections | 65584 | 10135 |
| <I/σ(I)> | 12.5 | |
| Completeness [%] | 92.9 | |
| Redundancy | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 298 | 0.2M Na2SO4, 20%PEG3350 |
