2GT7
Crystal structure of SARS coronavirus main peptidase at pH 6.0 in the space group P21
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Detector technology | CCD |
| Collection date | 2004-11-17 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.116 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.389, 96.191, 67.911 |
| Unit cell angles | 90.00, 102.91, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.820 |
| R-factor | 0.17228 |
| Rwork | 0.170 |
| R-free | 0.21694 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.778 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.890 |
| High resolution limit [Å] | 1.820 | 1.820 |
| Number of reflections | 56644 | |
| Completeness [%] | 96.4 | 90.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 2% PEG 20000, 3% dimethyl sulfoxide, 1mM dithiothreitol, 0.1 M MES (pH 6.0), VAPOR DIFFUSION, HANGING DROP, temperature 298K |
