2QCY
Crystal Structure of a monomeric form of Severe Acute Respiratory Syndrome (SARS) 3C-like protease mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Collection date | 2007-03-25 |
Wavelength(s) | 1.0810 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 33.389, 66.225, 62.210 |
Unit cell angles | 90.00, 100.77, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.750 |
Rwork | 0.168 |
R-free | 0.20800 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.434 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | CNS |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.810 |
High resolution limit [Å] | 1.750 | 3.770 | 1.750 |
Rmerge | 0.067 | 0.038 | 0.245 |
Number of reflections | 26899 | ||
<I/σ(I)> | 12.3 | ||
Completeness [%] | 99.4 | 99.9 | 95 |
Redundancy | 6.9 | 7.3 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 4% PEG6000, 2% MPD, 5% isopropanol, 5mM DTT and 0.1M Mes, pH 6.0. followed by 10-day dehydration on buffer (10% PEG6000, 0.1M Mes, pH6.0), VAPOR DIFFUSION, HANGING DROP, temperature 298K |