4F60
Crystal structure of Rhodococcus rhodochrous haloalkane dehalogenase mutant (T148L, G171Q, A172V, C176F).
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 21 21 21 |
| Unit cell lengths | 52.018, 69.930, 85.352 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.020 - 1.450 |
| R-factor | 0.15108 |
| Rwork | 0.150 |
| R-free | 0.17109 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fbw |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.467 |
| 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 | 1.500 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.033 | 0.258 |
| Number of reflections | 53781 | |
| <I/σ(I)> | 65.84 | 3.2 |
| Completeness [%] | 95.9 | 74.2 |
| Redundancy | 6.9 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 0.1M BisTris propane pH6.5, 0.2M Sodium Fluoride,20% PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
