7RBR
The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with a Lys48-linked di-ubiquitin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-04-14 |
Detector | DECTRIS PILATUS3 X 6M |
Wavelength(s) | 0.9792 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 148.046, 50.136, 71.927 |
Unit cell angles | 90.00, 111.84, 90.00 |
Refinement procedure
Resolution | 47.140 - 1.880 |
R-factor | 0.1888 |
Rwork | 0.187 |
R-free | 0.22840 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6wrh 5e6j |
RMSD bond length | 0.010 |
RMSD bond angle | 1.588 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.140 | 47.140 | 1.910 |
High resolution limit [Å] | 1.880 | 5.100 | 1.880 |
Rmerge | 0.106 | 0.045 | 0.929 |
Rmeas | 0.127 | 0.054 | 1.197 |
Rpim | 0.068 | 0.030 | 0.745 |
Number of reflections | 38678 | 2048 | 1498 |
<I/σ(I)> | 6.5 | 1.1 | |
Completeness [%] | 96.1 | 97.5 | 74.2 |
Redundancy | 3.2 | 3.3 | 2.2 |
CC(1/2) | 0.986 | 0.996 | 0.520 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 280 | 0.2 M di-sodium tartrate, 20% PEG-3350, |