1E3I
Mouse class II alcohol dehydrogenase complex with NADH and inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I711 |
| Synchrotron site | MAX II |
| Beamline | I711 |
| Temperature [K] | 110 |
| Collection date | 1999-05-15 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 79.253, 81.070, 102.187 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.080 |
| R-factor | 0.198 |
| Rwork | 0.198 |
| R-free | 0.22800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cdo |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (0.9) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.120 |
| High resolution limit [Å] | 2.100 | 2.080 |
| Rmerge | 0.054 * | 0.213 * |
| Total number of observations | 173749 * | |
| Number of reflections | 40001 | |
| <I/σ(I)> | 18.5 | |
| Completeness [%] | 99.2 | 87.1 * |
| Redundancy | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 8.3 | pH 8.30 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | Tris-Cl | 0.1 (M) | |
| 2 | 1 | reservoir | NADH | 1 (mM) | |
| 3 | 1 | reservoir | N-cyclohexylformamide | 1 (mM) | |
| 4 | 1 | reservoir | PEG6000 | 13.5 (%(w/w)) | |
| 5 | 1 | drop | protain | 11 (mg/ml) |
