3M3V
SARS-CoV main protease triple mutant STI/A with two N-terminal additional residue (Gly-Ser)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-04-28 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0810 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.228, 96.523, 67.692 |
| Unit cell angles | 90.00, 104.17, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.700 |
| Rwork | 0.201 |
| R-free | 0.27360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uj1 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.496 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | CNS |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 2.100 |
| Rmerge | 0.089 |
| Number of reflections | 36471 |
| Completeness [%] | 99.9 |
| Redundancy | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 6% PEG 6K 2% isopropanol 0.1 M Mes pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
