3M3T
SARS-CoV main protease monomeric Arg298Ala mutant with N-terminal additional residues (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 | 2007-04-03 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0810 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 33.129, 66.210, 64.496 |
| Unit cell angles | 90.00, 109.15, 90.00 |
Refinement procedure
| Resolution | 33.100 - 2.900 |
| Rwork | 0.185 |
| R-free | 0.27320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB code 2H2Z |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.102 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.090 | 0.285 |
| Number of reflections | 6356 | |
| <I/σ(I)> | 21.1 | 1.1 |
| Completeness [%] | 95.7 | 68.8 |
| Redundancy | 6.1 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 2% PEG 6000, 0.1M Mes , pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
