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 |