4P16
Crystal structure of the papain-like protease of Middle-East Respiratory Syndrome coronavirus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-12-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 100.891, 47.666, 88.425 |
| Unit cell angles | 90.00, 122.35, 90.00 |
Refinement procedure
| Resolution | 42.600 - 2.500 |
| R-factor | 0.1893 |
| Rwork | 0.187 |
| R-free | 0.23360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2fe8 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.130 |
| Refinement software | BUSTER (2.11.4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.600 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.059 | 0.470 |
| Number of reflections | 12337 | |
| <I/σ(I)> | 19 | 3.9 |
| Completeness [%] | 99.0 | 98 |
| Redundancy | 6.6 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 291 | 0.056 M sodium dihydrogenphosphate monohydrate (NaH2PO4), 1.344 M potassium monohydrogenphosphate (K2HPO4), pH 8.0, and 15% glycerol |
