3IWM
The octameric SARS-CoV main protease
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-03-21 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 161.930, 161.930, 166.435 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.943 - 3.200 |
| R-factor | 0.223 |
| Rwork | 0.220 |
| R-free | 0.27210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hob |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.526 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.300 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.155 | 0.652 |
| Number of reflections | 33573 | |
| Completeness [%] | 97.0 | 64.6 |
| Redundancy | 22.6 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | 0.2M Sodium chloride, 0.1M Bis-Tris (pH 5.5) and 25% w/v PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
