7D6H
Crystal structure of the SARS-CoV-2 papain-like protease (PLPro) C112S mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-06-01 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 82.801, 82.801, 134.408 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 27.100 - 1.600 |
R-factor | 0.1624 |
Rwork | 0.162 |
R-free | 0.17340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6w9c |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.17_3644) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.040 | 1.630 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.077 | 0.953 |
Rmeas | 0.080 | 0.977 |
Rpim | 0.018 | 0.215 |
Number of reflections | 71014 | 3508 |
<I/σ(I)> | 20.6 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 19.4 | 20.2 |
CC(1/2) | 0.999 | 0.913 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 289 | 0.1 M acetate buffer pH 4.5, 0.8 M NaH2PO4/1.2M K2HPO4 |