7JOY
Product structure of SARS-CoV-2 Mpro C145A mutant in complex with its C-terminal autoprocessing sequence.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-06-08 |
| Detector | DECTRIS PILATUS3 R 200K-A |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 123.665, 80.313, 63.319 |
| Unit cell angles | 90.00, 90.20, 90.00 |
Refinement procedure
| Resolution | 28.630 - 2.000 |
| R-factor | 0.219 |
| Rwork | 0.217 |
| R-free | 0.25200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6lu7 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.000 |
| Data reduction software | xia2 |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3 (20-MAY-2020)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.630 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.138 | 0.872 |
| Number of reflections | 40349 | 2904 |
| <I/σ(I)> | 3.9 | |
| Completeness [%] | 96.3 | 93.6 |
| Redundancy | 2.8 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 0.1 M MES pH 6, 16-22% PEG 3350, 5% MPD |
