2EWM
Crystal Structure of the (S)-Specific 1-Phenylethanol Dehydrogenase of the Denitrifying Bacterium Strain EbN1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2005-01-31 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.00885 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 58.400, 58.400, 236.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.000 - 2.400 |
| R-factor | 0.176 |
| Rwork | 0.176 |
| R-free | 0.25600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ew8 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | CNX |
| Refinement software | CNX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.000 | 2.500 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.073 | 0.122 |
| Number of reflections | 16156 | |
| <I/σ(I)> | 14.5 | |
| Completeness [%] | 92.0 | 86.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 294 | 12-18% PEG 8000, 0.05M potassium phasphate, 3% 2-methyl-2,4-pentanediol crystal was soaked with 5mM NAD+ and 5mM (R)-1-phenylethanol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
