9EPM
Mpro from SARS-CoV-2 with 4A mutation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-10-06 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 113.670, 53.320, 45.200 |
| Unit cell angles | 90.00, 101.97, 90.00 |
Refinement procedure
| Resolution | 48.125 - 1.981 |
| Rwork | 0.197 |
| R-free | 0.26630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.831 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.125 | 2.080 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Number of reflections | 18323 | 1210 |
| <I/σ(I)> | 8.87 | |
| Completeness [%] | 98.6 | |
| Redundancy | 6.3 | |
| CC(1/2) | 0.967 | 0.346 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20% Polyethylene glycol monomethyl ether 5.000, 200 mM Potassium formate |
