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 |