3RK4
Structure of Rhodococcus rhodochrous haloalkane dehalogenase mutant DhaA31
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X12 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X12 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-03-25 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.033 |
| Spacegroup name | P 1 |
| Unit cell lengths | 42.551, 44.370, 46.411 |
| Unit cell angles | 115.34, 98.56, 109.59 |
Refinement procedure
| Resolution | 10.000 - 1.310 |
| R-factor | 0.1287 |
| Rwork | 0.129 |
| R-free | 0.16000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fbw |
| RMSD bond length | 0.012 |
| RMSD bond angle | 0.028 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.350 |
| High resolution limit [Å] | 1.310 | 1.310 |
| Rmerge | 0.044 | 0.081 |
| Number of reflections | 297181 | |
| <I/σ(I)> | 35.6 | 18.3 |
| Completeness [%] | 94.5 | 90 |
| Redundancy | 4.3 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.4 | 277 | 100 mM MES Sodium salt, 29% PEG 4000, pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
