4YOJ
HKU4 3CLpro bound to non-covalent inhibitor 2A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-06-12 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.987 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.932, 88.343, 112.876 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.300 - 1.900 |
R-factor | 0.1624 |
Rwork | 0.160 |
R-free | 0.20930 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.172 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 26.300 |
High resolution limit [Å] | 1.900 |
Number of reflections | 46594 |
<I/σ(I)> | 25.3 |
Completeness [%] | 99.9 |
Redundancy | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293.15 | 18% PEG-3350, 5% tacsimate, 0.2 M ammonium sulfate, 0.1 M Bis-Tris pH 5.5 |