3WI7
Crystal Structure of the Novel Haloalkane Dehalogenase DatA from Agrobacterium tumefaciens C58
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-10-12 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 4 2 2 |
| Unit cell lengths | 123.700, 123.700, 88.070 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.030 - 1.700 |
| R-factor | 0.1932 |
| Rwork | 0.192 |
| R-free | 0.22310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.970 |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.700 |
| Number of reflections | 75138 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 8.6 | 293 | 0.1M CHES, 1.0M potassium sodium tartrate, 0.2M lithium sulfate, 0.01M barium chloride, pH 8.6, EVAPORATION, temperature 293K |
