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 |