4F5Z
Crystal structure of Rhodococcus rhodochrous haloalkane dehalogenase mutant (L95V, A172V).
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 | 2012-01-18 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 1 |
| Unit cell lengths | 42.663, 44.489, 46.389 |
| Unit cell angles | 115.28, 98.61, 109.55 |
Refinement procedure
| Resolution | 17.170 - 1.200 |
| R-factor | 0.12185 |
| Rwork | 0.120 |
| R-free | 0.15495 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3fbw |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.531 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.3.0037) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.240 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.035 | 0.191 |
| Number of reflections | 78455 | |
| <I/σ(I)> | 18.85 | 2.5 |
| Completeness [%] | 91.7 | 72.1 |
| Redundancy | 2.6 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 279 | 35 % (w/v) PEG4000, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 279K |
