9F7R
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 | 82.821, 82.821, 133.845 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.780 - 1.500 |
| R-factor | 0.1461 |
| Rwork | 0.145 |
| R-free | 0.16270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.037 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.890 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.036 | 0.872 |
| Rmeas | 0.039 | |
| Rpim | 0.014 | 0.545 |
| Total number of observations | 513815 | |
| Number of reflections | 78420 | 2864 |
| <I/σ(I)> | 23 | |
| Completeness [%] | 91.6 | 68.8 |
| Redundancy | 6.6 | 3.2 |
| CC(1/2) | 1.000 | 0.602 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 288 | 1.2M K2HPO4, 0.8M NaH2PO4, 0.1M sodium acetate |
