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 |