3EAJ
Crystal structure of SARS-CoV main protease quadruple mutant STIF/A with two molecules 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 | 2008-06-27 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.5401 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 109.518, 79.311, 100.222 |
| Unit cell angles | 90.00, 104.93, 90.00 |
Refinement procedure
| Resolution | 49.677 - 2.700 |
| R-factor | 0.204 |
| Rwork | 0.201 |
| R-free | 0.25700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2h2z |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.015 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 4.740 | 2.200 |
| Rmerge | 0.068 | 0.057 | 0.280 |
| Number of reflections | 37488 | ||
| <I/σ(I)> | 19.899 | ||
| Completeness [%] | 89.4 | 100 | 55.6 |
| Redundancy | 5.9 | 8.6 | 3.6 |
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 |
