1D1S
WILD-TYPE HUMAN SIGMA (CLASS IV) ALCOHOL DEHYDROGENASE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 113 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-08-10 |
| Detector | RIGAKU RAXIS IIC |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 86.400, 90.900, 121.100 |
| Unit cell angles | 90.00, 99.60, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.500 |
| R-factor | 0.22 |
| Rwork | 0.217 |
| R-free | 0.26800 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 24.800 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.085 | 0.368 |
| Total number of observations | 254379 * | |
| Number of reflections | 58678 | |
| <I/σ(I)> | 17.1 | |
| Completeness [%] | 91.4 | 76 |
| Redundancy | 4.33 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 6.5 | 4 * | 100 MM CACODYLATE, 100 MM ZINC ACETATE, 7.5 MM NAD+, 18% POLYETHYLENE GLYCOL 6000, 8 MG/ML ENZYME, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | cacodylate | 100 (mM) | |
| 2 | 1 | 1 | zinc acetate | 100 (mM) | |
| 3 | 1 | 1 | NAD+ | 7.5 (mM) | |
| 4 | 1 | 1 | PEG6000 | 18 (%(w/v)) | |
| 5 | 1 | 1 | protein | 8 (mg/ml) |
