1U3U
Crystal Structure of Human Alcohol Dehydrogenase Beta-1-Beta-1 Isoform Complexed with N-Benzylformamide Determined to 1.6 Angstrom Resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-03-01 |
| Detector | RIGAKU RAXIS IIC |
| Wavelength(s) | 1.54059 |
| Spacegroup name | P 1 |
| Unit cell lengths | 44.080, 52.510, 90.120 |
| Unit cell angles | 79.76, 89.67, 68.97 |
Refinement procedure
| Resolution | 30.000 - 1.600 |
| R-factor | 0.17 |
| Rwork | 0.169 |
| R-free | 0.19000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hsz |
| RMSD bond length | 0.009 |
| RMSD bond angle | 2.230 |
| 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 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.046 | 0.172 |
| Number of reflections | 88679 | |
| <I/σ(I)> | 20.9 | 6.6 |
| Completeness [%] | 90.7 | 82.4 |
| Redundancy | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 15mg/ml enzyme, 2mM NAD+, 50mM sodium phosphate, and 11.5-13% PEG 8000, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
