3EA8
Crystal structure of SARS-CoV main protease triple mutant STI/A in space group C2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 150 |
| Detector technology | CCD |
| Collection date | 2008-06-17 |
| Detector | BRUKER SMART 2000 |
| Wavelength(s) | 1.54105 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 107.148, 82.559, 52.750 |
| Unit cell angles | 90.00, 106.49, 90.00 |
Refinement procedure
| Resolution | 42.587 - 2.250 |
| R-factor | 0.186 |
| Rwork | 0.184 |
| R-free | 0.23100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2h2z |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.063 |
| Data reduction software | SAINT |
| Data scaling software | SAINT |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 42.640 | 1.760 | |
| High resolution limit [Å] | 1.696 | 3.650 | 1.700 |
| Number of reflections | 48425 | ||
| <I/σ(I)> | 87.132 | ||
| Completeness [%] | 98.9 | ||
| Redundancy | 4.58 |
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 |
