9C7W
human OC43 Main Protease (1-303) in complex with potent inhibitor
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 2.0.1 |
| Synchrotron site | ALS |
| Beamline | 2.0.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-10-05 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 67.245, 129.805, 140.074 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 70.040 - 2.080 |
| R-factor | 0.2158 |
| Rwork | 0.214 |
| R-free | 0.24590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.000 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 95.210 | 2.087 |
| High resolution limit [Å] | 2.080 | 2.080 |
| Rmerge | 0.120 | 0.895 |
| Rmeas | 0.133 | |
| Rpim | 0.056 | 0.580 |
| Number of reflections | 73340 | 2188 |
| <I/σ(I)> | 7 | 1.3 |
| Completeness [%] | 98.6 | 84.2 |
| Redundancy | 5.5 | 3.3 |
| CC(1/2) | 0.985 | 0.291 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 0.1M HEPES pH 7.5, 8% EG, 10% PEG 8K |
