3ORW
Crystal structure of thermophilic phosphotriesterase from Geobacillus kaustophilus HTA426
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-09-13 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.321, 88.877, 89.384 |
| Unit cell angles | 90.00, 98.58, 90.00 |
Refinement procedure
| Resolution | 47.150 - 2.400 |
| R-factor | 0.19968 |
| Rwork | 0.196 |
| R-free | 0.26800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3f4d |
| RMSD bond length | 0.030 |
| RMSD bond angle | 2.359 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 2.400 |
| Number of reflections | 29732 |
| Completeness [%] | 95.0 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 291 | 0.1M HEPES pH7.6 12% w/v PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
