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 |