1SBY
Alcohol dehydrogenase from Drosophila lebanonensis complexed with NAD+ and 2,2,2-trifluoroethanol at 1.1 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | AREA DETECTOR |
| Collection date | 2000-02-02 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.300, 52.730, 69.920 |
| Unit cell angles | 90.00, 107.34, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.100 |
| R-factor | 0.132 |
| R-free | 0.17200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1a4u |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.797 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.070 |
| High resolution limit [Å] | 1.050 | 1.050 |
| Rmerge | 0.037 | 0.679 |
| Number of reflections | 212430 | |
| <I/σ(I)> | 15.211 | 1.23 |
| Completeness [%] | 92.0 | 81.4 |
| Redundancy | 3.25 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.2M CaCl2, 0.1M Tris/HCl, 28% w/v PEG 2000, 10mM NAD, 10mM 2,2,2-trifluoroethanol, pH 7.50, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
