7LMC
Structure of SARS CoV-2 main protease shows simultaneous processing of its N- and C-terminii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 98 |
| Detector technology | PIXEL |
| Collection date | 2020-08-10 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 |
| Unit cell lengths | 62.770, 66.300, 80.260 |
| Unit cell angles | 80.52, 89.46, 70.55 |
Refinement procedure
| Resolution | 79.070 - 2.977 |
| R-factor | 0.2117 |
| Rwork | 0.208 |
| R-free | 0.28810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6xho |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.090 |
| Data reduction software | XDS (autoPROC) |
| Data scaling software | Aimless (autoPROC) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.069 | 2.987 |
| High resolution limit [Å] | 2.977 | 2.977 |
| Number of reflections | 21828 | 248 |
| <I/σ(I)> | 10.6 | |
| Completeness [%] | 88.7 | 93.2 |
| Redundancy | 1.8 | |
| CC(1/2) | 0.996 | 0.775 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6 | 286 | 0.1 M MES, pH 6, 20 % PEG 6000, 0.2 M ammonium chloride |
