9F7Q
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 | 2022-03-31 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 82.230, 82.230, 133.603 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.750 - 2.300 |
| R-factor | 0.2066 |
| Rwork | 0.205 |
| R-free | 0.23150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.568 |
| 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] | 19.750 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.088 | 1.256 |
| Rmeas | 0.095 | |
| Rpim | 0.036 | 0.540 |
| Number of reflections | 23804 | 2295 |
| <I/σ(I)> | 12.6 | 1.4 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 7 | 6.4 |
| CC(1/2) | 0.999 | 0.619 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 288 | 2.5 M ammonium sulfate,0.1M MES |
