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 |