3EA9
Crystal structure of SARS-CoV main protease quadruple mutant STIF/A with one molecule in one asymmetric unit
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 150 |
| Detector technology | CCD |
| Collection date | 2008-07-12 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.54105 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 108.716, 80.694, 51.906 |
| Unit cell angles | 90.00, 105.78, 90.00 |
Refinement procedure
| Resolution | 42.967 - 2.400 |
| R-factor | 0.206 |
| Rwork | 0.199 |
| R-free | 0.26100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2h2z |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.398 |
| Data reduction software | HKL-2000 |
| Data scaling software | SAINT |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 17520 | |
| Completeness [%] | 52.4 | |
| Redundancy | 10.4 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 6% PEG 6000, 0.1M Mes, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
