3HTW
Organophosphorus hydrolase from Deinococcus radiodurans with cacodylate bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-08-16 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 61.292, 61.292, 206.011 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| Rwork | 0.212 |
| R-free | 0.26000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2zc1 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.508 |
| Data reduction software | HKL-2000 |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.020 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 36011 | |
| Completeness [%] | 100.0 | 99.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 289 | 0.2 M magnesium acetate, 0.1 M sodium cacodylate, 30% MPD, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
