5ZVK
Crystal Structure of the Human Coronavirus MERS HR1 motif in complex with pan-CoVs inhibitor EK1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-01-03 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9785 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 60.280, 60.280, 175.228 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 25.800 - 3.310 |
R-factor | 0.2622 |
Rwork | 0.259 |
R-free | 0.31360 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4mod |
RMSD bond length | 0.002 |
RMSD bond angle | 0.552 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.800 | 3.430 |
High resolution limit [Å] | 3.310 | 3.310 |
Rmeas | 0.122 | 0.775 |
Rpim | 0.036 | 0.324 |
Number of reflections | 6009 | 564 |
<I/σ(I)> | 20.7 | 2.5 |
Completeness [%] | 99.9 | 100 |
Redundancy | 11.7 | |
CC(1/2) | 0.897 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 7 | 293 | 0.2M KSCN, pH 7.0, 20% PEG3350 |