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 |