8WZP
Crystal structure of SARS-Cov-2 main protease M49I 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 | 2023-07-22 |
| Detector | DECTRIS EIGER2 S 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.149, 97.960, 58.502 |
| Unit cell angles | 90.00, 107.78, 90.00 |
Refinement procedure
| Resolution | 35.820 - 1.760 |
| R-factor | 0.194084921891 |
| Rwork | 0.192 |
| R-free | 0.23623 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.819 |
| 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] | 52.510 | 1.850 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Rmerge | 0.067 | 0.728 |
| Number of reflections | 48939 | 8584 |
| <I/σ(I)> | 13 | |
| Completeness [%] | 90.0 | |
| Redundancy | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 298 | 0.12M-0.21M Na2SO4, 20%-24% PEG3350 |
