4M0W
Crystal Structure of SARS-CoV papain-like protease C112S mutant in complex with ubiquitin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13C1 |
Synchrotron site | NSRRC |
Beamline | BL13C1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-11-17 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.976 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 47.464, 68.309, 68.421 |
Unit cell angles | 90.00, 95.66, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.400 |
R-factor | 0.15686 |
Rwork | 0.156 |
R-free | 0.17983 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2fe8 2hd5 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.380 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.450 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.394 | |
Number of reflections | 85006 | |
<I/σ(I)> | 3.3 | |
Completeness [%] | 99.6 | 99.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9.5 | 295 | 18% PEG 3000, 0.1M CHES, pH 9.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K |