9BRX
SARS-CoV-2 Papain-like Protease (PLpro) with Fragment 10
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 2 1 |
Unit cell lengths | 81.998, 81.998, 134.674 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 27.850 - 1.800 |
R-factor | 0.1804 |
Rwork | 0.179 |
R-free | 0.19810 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.868 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874+SVN) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.206 | 0.798 |
Number of reflections | 49319 | 2416 |
<I/σ(I)> | 8.96 | 3.2 |
Completeness [%] | 99.5 | 95.4 |
Redundancy | 9.4 | 9.6 |
CC(1/2) | 0.980 | 0.836 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.2M sodium citrate, 15%-25% PEG3350 |