3SN8
Crystal structure of SARS coronavirus main protease complexed with Cm-FF-H (soaking)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 200 |
| Detector technology | CCD |
| Collection date | 2010-08-06 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.9184 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 107.750, 82.880, 53.500 |
| Unit cell angles | 90.00, 104.63, 90.00 |
Refinement procedure
| Resolution | 32.820 - 1.990 |
| R-factor | 0.21981 |
| Rwork | 0.217 |
| R-free | 0.27047 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.649 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.820 | 2.038 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Number of reflections | 31388 | |
| Completeness [%] | 99.7 | 99.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 8% PEG 6000, 0.1 M MES, 3% MPD, 3% DMSO, pH 6.0, VAPOR DIFFUSION, SITTING DROP |
