3GU1
Y97W mutant in organophosphorus hydrolase from Deinococcus radiodurans
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Collection date | 2007-10-30 |
Wavelength(s) | 1 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 61.503, 61.503, 206.575 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 2.000 |
Rwork | 0.193 |
R-free | 0.22800 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 1.300 |
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 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.066 | 0.180 |
Number of reflections | 31474 | |
Completeness [%] | 100.0 | 99.5 |
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 |