5O30
Crystal structure of the novel halohydrin dehalogenase HheG
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-04-26 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.00003 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 194.877, 194.877, 195.179 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 65.060 - 2.300 |
R-factor | 0.1907 |
Rwork | 0.190 |
R-free | 0.20320 |
Structure solution method | SAD |
RMSD bond length | 0.003 |
RMSD bond angle | 0.570 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | SHELXDE |
Refinement software | PHENIX ((dev_2666: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 87.180 | 2.340 |
High resolution limit [Å] | 2.300 | 2.300 |
Rpim | 0.039 | 0.455 |
Number of reflections | 189092 | 9293 |
<I/σ(I)> | 21 | 2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 10.4 | 10.8 |
CC(1/2) | 0.999 | 0.890 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 293.15 | 0.1M sodium acetat pH 4.5, 1M ammonium phosphate dibasic |