7D47
Crystal structure of SARS-CoV-2 Papain-like protease C111S
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2020-05-22 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1.00 |
Spacegroup name | P 3 |
Unit cell lengths | 110.846, 110.846, 66.220 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.500 - 1.970 |
R-factor | 0.1956 |
Rwork | 0.188 |
R-free | 0.19730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2fe8 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.500 | 2.050 |
High resolution limit [Å] | 1.970 | 1.970 |
Rmeas | 0.085 | 0.890 |
Rpim | 0.038 | 0.394 |
Number of reflections | 63740 | 6266 |
<I/σ(I)> | 19.55 | 2.16 |
Completeness [%] | 98.8 | 100 |
Redundancy | 5.1 | |
CC(1/2) | 0.684 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 283 | 0.1M Tris 7 , 0.2M CaOAc, 18% PEG 8000 |