3G9X
Structure of haloalkane dehalogenase DhaA14 mutant I135F from Rhodococcus rhodochrous
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-08-16 |
| Detector | MAR CCD 165 mm |
| Spacegroup name | P 1 |
| Unit cell lengths | 42.730, 44.440, 46.630 |
| Unit cell angles | 115.50, 97.87, 109.52 |
Refinement procedure
| Resolution | 10.000 - 0.950 |
| R-factor | 0.1149 |
| Rwork | 0.115 |
| R-free | 0.13740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bn6 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 0.031 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 0.970 |
| High resolution limit [Å] | 0.950 | 0.950 |
| Rmerge | 0.059 | 0.418 |
| Number of reflections | 163495 | |
| <I/σ(I)> | 26.4 | 4.4 |
| Completeness [%] | 94.2 | 90.6 |
| Redundancy | 5.8 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 9 | 277 | [protein]=7-10 mg/ml in 50mM Tris-HCl buffer pH 7.5; [Precipitant]=25% PEG 4000, 8% 2-propanol in 100mM sodium acetate., VAPOR DIFFUSION, SITTING DROP, temperature 277K |
