9BRV
SARS-CoV-2 Papain-like Protease (PLpro) with Fragment 5
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2020-08-25 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 32 |
| Unit cell lengths | 83.281, 83.281, 132.969 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 17.140 - 2.600 |
| R-factor | 0.1949 |
| Rwork | 0.193 |
| R-free | 0.22630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.384 |
| Data reduction software | HKL-2000 |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.608 | 2.680 |
| High resolution limit [Å] | 2.580 | 2.580 |
| Rmerge | 0.207 | 0.752 |
| Number of reflections | 73072 | 4094 |
| <I/σ(I)> | 10.62 | 2.05 |
| Completeness [%] | 99.8 | |
| Redundancy | 17.07 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.2M magnesium formate, 15-25%PEG3350 |
