7WQK
wild-type SARS-CoV-2 main protease in complex with MG-132
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL15A1 |
| Synchrotron site | NSRRC |
| Beamline | BL15A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2020-06-03 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.99984 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 110.978, 55.140, 47.111 |
| Unit cell angles | 90.00, 102.34, 90.00 |
Refinement procedure
| Resolution | 27.650 - 2.150 |
| R-factor | 0.23118 |
| Rwork | 0.228 |
| R-free | 0.28918 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6lu7 6y2e |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.737 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.230 |
| High resolution limit [Å] | 2.145 | 2.145 |
| Rmerge | 0.046 | 0.338 |
| Number of reflections | 15052 | 1458 |
| <I/σ(I)> | 28.582 | 3.638 |
| Completeness [%] | 98.2 | 95.5 |
| Redundancy | 4.2 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Tris pH 8.5, 0.2 M sodium chloride, 25% w/v PEG3,350 |
