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 |