3FWH
Structure of haloalkane dehalogenase mutant Dha15 (I135F/C176Y) 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 | IMAGE PLATE |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | P 1 |
| Unit cell lengths | 42.524, 44.370, 46.541 |
| Unit cell angles | 115.48, 98.41, 109.60 |
Refinement procedure
| Resolution | 20.000 - 1.220 |
| R-factor | 0.132 |
| Rwork | 0.130 |
| R-free | 0.16200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bn6 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.605 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.240 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.050 | 0.179 |
| Number of reflections | 77114 | |
| <I/σ(I)> | 29.6 | 6.8 |
| Completeness [%] | 90.7 | 45 |
| Redundancy | 3.4 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 277 | 25 % PEG 4 000, 8 % iso-propanol and 100 mM Na-Acetate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
