4HZG
Structure of haloalkane dehalogenase DhaA from Rhodococcus rhodochrous
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-10-14 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 1.9 |
| Spacegroup name | P 1 |
| Unit cell lengths | 42.770, 44.470, 46.510 |
| Unit cell angles | 115.27, 97.77, 109.23 |
Refinement procedure
| Resolution | 22.000 - 1.950 |
| R-factor | 0.21857 |
| Rwork | 0.216 |
| R-free | 0.27287 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fbw |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.665 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.000 | 1.940 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.158 | 0.568 |
| Number of reflections | 20934 | |
| <I/σ(I)> | 5.3 | 2 |
| Completeness [%] | 87.8 | 81.5 |
| Redundancy | 3.7 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.75 | 277 | 39% PEG 4000, 100 mM sodium acetate, 8% 1,2,3-trichloropropane, pH 7.75, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
