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 |
