1D1T
MUTANT OF HUMAN SIGMA ALCOHOL DEHYDROGENASE WITH LEUCINE AT POSITION 141
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 113 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-09-14 |
| Detector | RIGAKU RAXIS IIC |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 85.900, 90.500, 119.800 |
| Unit cell angles | 90.00, 99.30, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.400 |
| R-factor | 0.221 |
| Rwork | 0.216 |
| R-free | 0.27400 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 24.600 * |
| 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 | 2.510 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.077 | 0.403 |
| Total number of observations | 171372 * | |
| Number of reflections | 64234 | |
| <I/σ(I)> | 16.5 | |
| Completeness [%] | 91.0 | 77 |
| Redundancy | 2.67 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 6.5 | 4 * | 100 mM Cacodylate, pH 6.5, 100 mM Zinc Acetate, 7.5 mM NAD+, 18% PEG 6000, 8 mg/ml enzyme, 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) |
