9F7P
SARS-CoV-2 papain-like protease (PLpro) C112S mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-07-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979264 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 81.076, 81.076, 135.173 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.690 - 1.700 |
| R-factor | 0.1658 |
| Rwork | 0.165 |
| R-free | 0.17950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.056 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20_4459) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.690 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.038 | 0.929 |
| Rmeas | 0.041 | |
| Rpim | 0.017 | 0.448 |
| Number of reflections | 53912 | 3052 |
| <I/σ(I)> | 27.5 | 2 |
| Completeness [%] | 94.0 | 100 |
| Redundancy | 11 | 10.1 |
| CC(1/2) | 1.000 | 0.907 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 288 | 1.8 M sodium malonate |
