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 |