7DQZ
Crystal structure of SARS 3C-like protease in apo form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2020-12-20 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97915 |
Spacegroup name | P 1 |
Unit cell lengths | 55.484, 60.766, 68.476 |
Unit cell angles | 91.31, 102.59, 108.66 |
Refinement procedure
Resolution | 33.248 - 1.990 |
R-factor | 0.229677213272 |
Rwork | 0.228 |
R-free | 0.25746 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1uj1 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.982 |
Data reduction software | AUTOMAR |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.590 | 2.100 |
High resolution limit [Å] | 1.990 | 1.990 |
Rmerge | 0.032 | 0.252 |
Number of reflections | 52837 | 15136 |
<I/σ(I)> | 2 | |
Completeness [%] | 94.1 | |
Redundancy | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 293 | 0.1M Hepes pH7.5, 10% PEG8000, 8% Ethylene glycol |