7WQA
SARS-CoV-2 main protease in complex with Z-VAD-FMK
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 | 113.312, 54.586, 45.620 |
| Unit cell angles | 90.00, 100.83, 90.00 |
Refinement procedure
| Resolution | 23.670 - 1.800 |
| R-factor | 0.17294 |
| Rwork | 0.171 |
| R-free | 0.20756 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6y2e 6lu7 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.443 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.041 | 0.358 |
| Number of reflections | 25175 | 2503 |
| <I/σ(I)> | 29.568 | 4.341 |
| Completeness [%] | 99.4 | 99.8 |
| Redundancy | 3.6 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Bis Tris propane 8.5, 0.2 M sodium fluoride, 20 % w/v PEG 3350 |
