9WCG
Crystal Structure of SARS Coronavirus Main Proteinase in Complex with a Broad-spectrum Inhibitor
This is a non-PDB format compatible entry.
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 | 2025-04-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.987 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 112.011, 53.458, 46.229 |
| Unit cell angles | 90.00, 101.93, 90.00 |
Refinement procedure
| Resolution | 48.050 - 2.390 |
| R-factor | 0.2739 |
| Rwork | 0.271 |
| R-free | 0.33380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.396 |
| Data reduction software | autoPX (beta4) |
| Data scaling software | pointless (9.0.005) |
| Phasing software | PHASER (1.19.2_4158) |
| Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.450 |
| High resolution limit [Å] | 2.390 | 2.390 |
| Number of reflections | 14794 | 782 |
| <I/σ(I)> | 24.85 | 1.02 |
| Completeness [%] | 99.5 | |
| Redundancy | 6.31 | |
| CC(1/2) | 0.988 | 0.188 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 0.2 M Sodium acetate ph5.5 20% (w/v) PEG 3350 |
