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 |
