7CJD
Crystal structure of the SARS-CoV-2 PLpro C111S mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-06-13 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9785 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 169.018, 108.626, 100.265 |
| Unit cell angles | 90.00, 118.87, 90.00 |
Refinement procedure
| Resolution | 43.900 - 2.501 |
| R-factor | 0.2357 |
| Rwork | 0.233 |
| R-free | 0.28190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6w9c |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.900 | 2.650 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.183 | 2.510 |
| Number of reflections | 54623 | 8831 |
| <I/σ(I)> | 9.53 | 0.91 |
| Completeness [%] | 99.2 | 0.996 |
| Redundancy | 6.82 | 7 |
| CC(1/2) | 0.996 | 0.402 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.1 | 296 | 3%dextran sulfate sodium salt,0.1m Bicine ph8.5,15%PEG20000 |
