1U3T
Crystal Structure of Human Alcohol Dehydrogenase Alpha-Alpha Isoform Complexed with N-Cyclopentyl-N-Cyclobutylformamide Determined to 2.5 Angstrom Resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-05-01 |
| Detector | RIGAKU RAXIS IIC |
| Wavelength(s) | 1.54059 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.000, 71.470, 92.790 |
| Unit cell angles | 90.00, 102.84, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.490 |
| R-factor | 0.204 |
| Rwork | 0.202 |
| R-free | 0.23200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hso |
| RMSD bond length | 0.010 |
| RMSD bond angle | 2.060 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.580 |
| High resolution limit [Å] | 2.490 | 2.490 |
| Rmerge | 0.075 | 0.362 |
| Number of reflections | 22908 | |
| <I/σ(I)> | 11.3 | 3 |
| Completeness [%] | 90.9 | 78.6 |
| Redundancy | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | 6.5mg/ml enzyme, 3mM NAD+, 100mM Na-ACES, 13-15% PEG 6000, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
