8IG5
Crystal structure of SARS main protease in complex with GC376
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 | 2022-09-29 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 |
| Unit cell lengths | 55.123, 61.575, 67.902 |
| Unit cell angles | 92.05, 102.83, 109.30 |
Refinement procedure
| Resolution | 35.928 - 2.170 |
| R-factor | 0.214009498664 |
| Rwork | 0.212 |
| R-free | 0.24345 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.020 |
| 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] | 57.170 | 2.290 |
| High resolution limit [Å] | 2.170 | 2.170 |
| Rmerge | 0.044 | 0.404 |
| Number of reflections | 40341 | 4665 |
| <I/σ(I)> | 14.5 | |
| Completeness [%] | 93.2 | |
| Redundancy | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M Hepes pH7.5, 10% PEG8000, 8% Ethylene glycol |
