8UH8
Crystal structure of SARS-CoV-2 main protease E166V (Apo structure)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-07-29 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 113.069, 53.764, 44.642 |
| Unit cell angles | 90.00, 100.91, 90.00 |
Refinement procedure
| Resolution | 55.510 - 1.900 |
| R-factor | 0.21286 |
| Rwork | 0.210 |
| R-free | 0.26538 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.716 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.510 | 1.969 |
| High resolution limit [Å] | 1.900 | 1.901 |
| Rmerge | 0.046 | 0.311 |
| Number of reflections | 20488 | 2006 |
| <I/σ(I)> | 23.33 | |
| Completeness [%] | 98.1 | |
| Redundancy | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.1 M MES, pH 5.8, 15% PEG6000, 3% DMSO |
