4URF
Molecular Genetic and Crystal Structural Analysis of 1-(4- Hydroxyphenyl)-Ethanol Dehydrogenase from Aromatoleum aromaticum EbN1
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 |
| Detector | DECTRIS PILATUS |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 121.500, 55.100, 86.300 |
| Unit cell angles | 90.00, 134.40, 90.00 |
Refinement procedure
| Resolution | 31.770 - 1.100 |
| R-factor | 0.11011 |
| Rwork | 0.109 |
| R-free | 0.13309 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ure |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.082 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.800 | 1.200 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.080 | 0.380 |
| Number of reflections | 160008 | |
| <I/σ(I)> | 14.5 | 11.34 |
| Completeness [%] | 96.7 | 90.1 |
| Redundancy | 2.5 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | SITTING DROP METHOD IN A BUFFER CONTAINING 30% PEG 6000, 0.1 M NA-CACODYLATE (PH 6.5), 0.3 M MG-ACETATE |
