2D2G
OpdA from Agrobacterium radiobacter with bound product dimethylthiophosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 173 |
Detector technology | IMAGE PLATE |
Collection date | 2004-11-10 |
Detector | RIGAKU RAXIS IIC |
Wavelength(s) | 1.5148 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 108.956, 108.956, 62.672 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 25.000 - 1.850 |
R-factor | 0.16742 |
Rwork | 0.166 |
R-free | 0.19367 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.300 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 1.920 |
High resolution limit [Å] | 1.850 | 1.850 |
Number of reflections | 35872 | |
Completeness [%] | 97.7 | 97.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.6 | 277 | 20% PEG 3350, 0.2M NaNO3, pH 6.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K |