4K2A
Crystal structure of haloalkane dehalogenase DbeA from Bradyrhizobium elkani USDA94
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-22 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.918 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.702, 121.888, 161.992 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.700 - 2.200 |
| R-factor | 0.1509 |
| Rwork | 0.148 |
| R-free | 0.20858 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.725 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.3.0037) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.710 | 2.258 |
| High resolution limit [Å] | 2.200 | 2.201 |
| Rmerge | 0.069 | 0.307 |
| Number of reflections | 73280 | |
| <I/σ(I)> | 21.64 | 4.3 |
| Completeness [%] | 92.3 | 62.8 |
| Redundancy | 5.8 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 100 mM Tris HCl, 20% (w/v) PEG 3350 or 4000 and 150 mM calcium acetate , pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
