3GU9
R228A mutation in organophosphorus hydrolase from Deinococcus radiodurans
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Collection date | 2005-08-26 |
Wavelength(s) | 1 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 61.200, 61.200, 206.920 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 2.060 |
Rwork | 0.186 |
R-free | 0.22100 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.420 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | SOLVE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.180 |
High resolution limit [Å] | 2.060 | 2.060 |
Rmerge | 0.113 | 0.498 |
Number of reflections | 50401 | |
Completeness [%] | 98.8 | 85.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 289 | 0.6 M succinic acid, pH 7.0, 16% PEG 400, VAPOR DIFFUSION, HANGING DROP, temperature 289K |