2EIH
Crystal Structure of NAD-dependent alcohol dehydrogenase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL44B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-06-19 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 75.580, 133.890, 75.670 |
| Unit cell angles | 90.00, 107.29, 90.00 |
Refinement procedure
| Resolution | 19.690 - 2.300 |
| R-factor | 0.21 |
| Rwork | 0.210 |
| R-free | 0.26700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e3j |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.073 | 0.388 |
| Number of reflections | 31848 | |
| <I/σ(I)> | 10.6 | 1.1 |
| Completeness [%] | 87.5 | 37.5 |
| Redundancy | 3.3 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | 7.8% PEG 20000, 2.9% Dioxane, 0.11M Bicine, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
