8GFK
Room temperature X-ray structure of truncated SARS-CoV-2 main protease C145A mutant, residues 1-304
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2022-07-27 |
| Detector | DECTRIS EIGER R 4M |
| Wavelength(s) | 1.5418 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 52.187, 81.803, 91.775 |
| Unit cell angles | 90.00, 95.24, 90.00 |
Refinement procedure
| Resolution | 30.490 - 2.000 |
| R-factor | 0.1704 |
| Rwork | 0.169 |
| R-free | 0.20610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.814 |
| Data reduction software | CrysalisPro |
| Data scaling software | CrysalisPro |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.950 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.090 | 0.644 |
| Number of reflections | 25990 | 2594 |
| <I/σ(I)> | 13.2 | 1.57 |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 5.5 | 5.4 |
| CC(1/2) | 0.973 | 0.625 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 287 | 15-18% PEG3350, 0.1 M Bis-Tris pH 6.5 or pH 7.0 |
