2R1M
OpdA from Agrobacterium radiobacter with bound product diethyl phosphate from crystal soaking with diethyl 4-methoxyphenyl phosphate (450h)- 2.5 A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-08-25 |
| Detector | RIGAKU RAXIS IIC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 109.096, 109.096, 61.880 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.500 |
| R-factor | 0.15868 |
| Rwork | 0.155 |
| R-free | 0.22520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2d2j |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.653 |
| 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] | 20.000 | 2.660 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 14351 | |
| Completeness [%] | 96.0 | 82.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 20% PEG 3350, 0.2M sodium nitrate, pH7, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
