4BRZ
Haloalkane dehalogenase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 287 |
| Detector technology | PIXEL |
| Collection date | 2013-03-04 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.970, 75.520, 64.870 |
| Unit cell angles | 90.00, 92.94, 90.00 |
Refinement procedure
| Resolution | 44.400 - 1.670 |
| R-factor | 0.207 |
| Rwork | 0.205 |
| R-free | 0.24600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cv2 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.235 |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.400 | 1.710 |
| High resolution limit [Å] | 1.670 | 1.670 |
| Rmerge | 0.040 | 0.500 |
| Number of reflections | 61186 | |
| <I/σ(I)> | 14.2 | 2 |
| Completeness [%] | 99.6 | 99.6 |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 0.3 M MGCL2, 0.1 M TRIS-HCL AND 30% PEG-4000, pH 7 |
