5ZVM
Crystal Structure of the Human Coronavirus SARS 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 | 2017-07-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9785 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 100.958, 100.958, 73.425 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.500 - 3.300 |
| R-factor | 0.2507 |
| Rwork | 0.248 |
| R-free | 0.30140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bez |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.138 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.500 | 3.420 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Rmeas | 0.172 | 1.000 |
| Rpim | 0.060 | 0.363 |
| Number of reflections | 6070 | 595 |
| <I/σ(I)> | 11.9 | 1.5 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 8.1 | 7.8 |
| CC(1/2) | 0.740 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 5.5 | 293 | 0.2M Li2SO4, 0.1M BIS-Tris, pH 5.5, 25% PEG3350 |
