1Q2W
X-Ray Crystal Structure of the SARS Coronavirus Main Protease
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-07-18 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.9198 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.244, 98.287, 67.822 |
| Unit cell angles | 90.00, 102.86, 90.00 |
Refinement procedure
| Resolution | 5.000 - 1.860 |
| R-factor | 0.207 |
| Rwork | 0.194 |
| R-free | 0.24900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Homology model based on 1LVO |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.643 |
| Data scaling software | SCALA |
| Phasing software | EPMR |
| Refinement software | REFMAC (5.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.300 | 1.960 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Rmerge | 0.075 | 0.505 |
| Number of reflections | 54747 | |
| <I/σ(I)> | 7.8 | 2.9 |
| Completeness [%] | 98.2 | 91.6 |
| Redundancy | 13.7 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 294 | PEG 20K, sodium chloride, BME, methionine, glycerol, pH 6.5, VAPOR DIFFUSION, temperature 294K |
