2OP9
Substrate Specificity Profiling and Identification of a New Class of Inhibitor for the Major Protease of the SARS Coronavirus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-06-13 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 52.314, 96.798, 67.877 |
Unit cell angles | 90.00, 103.20, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.800 |
R-factor | 0.172 |
Rwork | 0.170 |
R-free | 0.20700 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 1.544 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 65.938 |
High resolution limit [Å] | 1.800 |
Number of reflections | 60036 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 10% PEG-6K, 10% DMSO, 2mM DTT, 0.1M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |