4WUR
The crystal structure of the MERS-CoV papain-like protease (C111S) with human ubiquitin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-06-26 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 63 |
| Unit cell lengths | 138.144, 138.144, 57.591 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.879 - 3.160 |
| R-factor | 0.21 |
| Rwork | 0.208 |
| R-free | 0.25180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4p16 1ubq |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.793 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.220 | 3.330 |
| High resolution limit [Å] | 3.160 | 3.160 |
| Rmerge | 0.126 | |
| Number of reflections | 10955 | |
| <I/σ(I)> | 12.8 | 2 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.3 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.8 | 291 | 22% w/v PEG 4000, 15% v/v 2-propanol, 0.1M tri-sodium citrate pH 4.8 and 10% glycerol |
