5Y3Q
Crystal structure of SARS coronavirus papain-like protease conjugated with beta-mercaptoethanol
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 | 2016-12-29 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 151.412, 33.264, 90.677 |
Unit cell angles | 90.00, 125.01, 90.00 |
Refinement procedure
Resolution | 74.270 - 1.650 |
R-factor | 0.14856 |
Rwork | 0.147 |
R-free | 0.18405 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2fe8 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.258 |
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] | 74.270 | 1.710 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.041 | 0.347 |
Number of reflections | 45072 | |
<I/σ(I)> | 29 | 3.6 |
Completeness [%] | 99.7 | 98.2 |
Redundancy | 3.6 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 295 | PEG3350, Bis-Tris propane/citric acid |