3DDH
The structure of a putative haloacid dehalogenase-like family hydrolase from Bacteroides thetaiotaomicron VPI-5482
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-10-08 |
Detector | CUSTOM-MADE |
Wavelength(s) | 0.97855 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 36.119, 104.222, 121.212 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.400 - 2.000 |
R-factor | 0.179 |
Rwork | 0.177 |
R-free | 0.22300 |
Structure solution method | SAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.436 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MLPHARE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.108 | 0.443 |
Number of reflections | 31723 | |
<I/σ(I)> | 7.2 | 3 |
Completeness [%] | 99.2 | 93 |
Redundancy | 8.8 | 5.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 278 | 0.2M MgCl2, 0.1M HEPES pH7, 25% PEG 3350, 3% D(+) Trehalose dihydrate , pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 278K |