7CWB
Ambient-Temperature Serial Femtosecond X-ray Crystal structure of SARS-CoV-2 Main Protease at 1.9 A Resolution (C121)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | SLAC LCLS BEAMLINE MFX |
| Synchrotron site | SLAC LCLS |
| Beamline | MFX |
| Temperature [K] | 294 |
| Detector technology | PIXEL |
| Collection date | 2020-08-16 |
| Detector | CS-PAD CXI-1 |
| Wavelength(s) | 1.29 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 114.000, 53.500, 45.000 |
| Unit cell angles | 90.00, 102.00, 90.00 |
Refinement procedure
| Resolution | 34.076 - 1.900 |
| R-factor | 0.2218 |
| Rwork | 0.218 |
| R-free | 0.25690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6wqf |
| Data reduction software | CrystFEL |
| Data scaling software | CrystFEL |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX (phenix-dev-3318) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 1.980 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 26291 | 2650 |
| <I/σ(I)> | 10.4 | |
| Completeness [%] | 99.9 | |
| Redundancy | 825 | |
| CC(1/2) | 0.996 | 0.790 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 294 | 0.1 M MMT 6.0, 25% w/v PEG 1500 |
