3B12
Crystal Structure of the Fluoroacetate Dehalogenase D104 mutant from Burkholderia sp. FA1 in complex with fluoroacetate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Detector technology | CCD |
Collection date | 2005-05-20 |
Detector | ADSC QUANTUM 210 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.497, 85.065, 136.354 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.720 - 1.200 |
R-factor | 0.1767 |
Rwork | 0.176 |
R-free | 0.18492 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1y37 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.142 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 1.150 |
Number of reflections | 219357 |
Completeness [%] | 99.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 20%(w/v) PEG 8000, 100mM Tris-HCl buffer pH 8.5, 40mM MgCl2, 100mM fluoroacetate , VAPOR DIFFUSION, HANGING DROP, temperature 277K |