1HSO
HUMAN ALPHA ALCOHOL DEHYDROGENASE (ADH1A)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-02-28 |
| Detector | RIGAKU RAXIS IIC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.700, 100.200, 69.100 |
| Unit cell angles | 90.00, 104.90, 90.00 |
Refinement procedure
| Resolution | 44.000 - 2.500 |
| R-factor | 0.194 |
| Rwork | 0.248 |
| R-free | 0.19100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1deh |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.320 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.092 | 0.294 |
| Total number of observations | 48374 * | |
| Number of reflections | 23704 | |
| <I/σ(I)> | 10.5 | 3.2 |
| Completeness [%] | 92.9 | 83 |
| Redundancy | 2.05 | 1.75 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 7.2 | 24 * | 14% (w/v) PEG 6000, 100 mM ACES, 2mM NAD+, 2mM 4-iodopyrazole, 10 mg/ml protein, pH 7.2, VAPOR DIFFUSION, SITTING DROP at 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | PEG6000 | 14 (%) | |
| 2 | 1 | 1 | Na-ACES | 100 (mM) | |
| 3 | 1 | 1 | NAD+ | 2 (mM) | |
| 4 | 1 | 1 | 4-iodopyrazole | 2 (mM) | |
| 5 | 1 | 1 | protein | 10 (mg/ml) |
