2EW8
Crystal Structure of the (S)-Specific 1-Phenylethanol Dehydrogenase of the Denitrifying Bacterium Strain EbN1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | BRUKER SMART 6000 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 130.600, 110.700, 77.300 |
| Unit cell angles | 90.00, 116.31, 90.00 |
Refinement procedure
| Resolution | 58.600 - 2.100 |
| R-factor | 0.171 |
| Rwork | 0.171 |
| R-free | 0.20900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1i01 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.200 |
| Data reduction software | SAINT |
| Data scaling software | SAINT |
| Phasing software | CNX |
| Refinement software | CNX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.500 | 2.175 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.063 | |
| Number of reflections | 56645 | |
| <I/σ(I)> | 5.92 | 1.75 |
| Completeness [%] | 98.2 | 98.22 |
| Redundancy | 3.4 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 294 | 18% PEG 8000, 0.05 M potassium phosphate, 3% 2-methyl-2,4-pentandiol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
