9VUW
Crystal structure of SARS-CoV-2 main protease with a deletion of Asn51
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 | 2025-06-20 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97861 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 97.353, 80.607, 51.514 |
| Unit cell angles | 90.00, 114.75, 90.00 |
Refinement procedure
| Resolution | 59.570 - 1.600 |
| R-factor | 0.1939 |
| Rwork | 0.193 |
| R-free | 0.21130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.348 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.18.2_3874: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.570 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.081 | 0.887 |
| Rmeas | 0.088 | 0.964 |
| Rpim | 0.035 | 0.372 |
| Number of reflections | 46792 | 2386 |
| <I/σ(I)> | 15.7 | 2.3 |
| Completeness [%] | 98.3 | 98.3 |
| Redundancy | 6.4 | 6.5 |
| CC(1/2) | 0.999 | 0.825 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 0.12 M Alcohols, 0.1 M Buffer System 2 pH 7.5, 37.5% v/v Precipitant Mix 4 |
