6JIJ
The Crystal Structure of Main Protease from Mouse Hepatitis Virus A59 in Complex with an inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17B1 |
| Synchrotron site | SSRF |
| Beamline | BL17B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-09-02 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.97854 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 167.787, 64.034, 117.953 |
| Unit cell angles | 90.00, 125.97, 90.00 |
Refinement procedure
| Resolution | 36.960 - 2.650 |
| R-factor | 0.229 |
| Rwork | 0.226 |
| R-free | 0.27000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.772 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.700 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Number of reflections | 29741 | |
| <I/σ(I)> | 15.2 | |
| Completeness [%] | 99.7 | |
| Redundancy | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 291 | 0.1M Sodium acetate trihydrate (pH 4.4-4.6), 8%-10%(w/v) Polyethylene glycol 4,000 |
