1U3V
Crystal Structure of Human Alcohol Dehydrogenase Beta-1-Beta-1 Isoform Complexed with N-Heptylformamide Determined to 1.65 Angstrom Resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-04-01 |
| Detector | RIGAKU RAXIS IIC |
| Wavelength(s) | 1.54059 |
| Spacegroup name | P 1 |
| Unit cell lengths | 44.320, 52.830, 90.350 |
| Unit cell angles | 79.58, 89.43, 68.60 |
Refinement procedure
| Resolution | 30.000 - 1.650 |
| R-factor | 0.165 |
| Rwork | 0.164 |
| R-free | 0.18500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hsz |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.740 |
| 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 | 1.710 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.037 | 0.151 |
| Number of reflections | 80562 | |
| <I/σ(I)> | 29.9 | 7.6 |
| Completeness [%] | 89.4 | 69.4 |
| Redundancy | 2.65 |
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 |
