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 |
