5Y3E
Crystal structure of SARS coronavirus papain-like protease in complex with glycerol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL15A1 |
| Synchrotron site | NSRRC |
| Beamline | BL15A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-03-03 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 151.179, 33.357, 90.890 |
| Unit cell angles | 90.00, 124.98, 90.00 |
Refinement procedure
| Resolution | 74.470 - 1.650 |
| R-factor | 0.16368 |
| Rwork | 0.162 |
| R-free | 0.19931 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2fe8 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.257 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 74.470 | 1.710 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.047 | 0.456 |
| Number of reflections | 43398 | |
| <I/σ(I)> | 26.3 | 3.6 |
| Completeness [%] | 95.5 | 94.8 |
| Redundancy | 3.5 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 295 | PEG8000, HEPES |
