1JU9
HORSE LIVER ALCOHOL DEHYDROGENASE VAL292SER MUTANT
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-09-18 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.271, 180.398, 46.176 |
| Unit cell angles | 90.00, 106.65, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| R-factor | 0.19673 |
| Rwork | 0.196 |
| R-free | 0.23158 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hld |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.526 |
| Data reduction software | CrystalClear ((MSC/RIGAKU)) |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 * | 2.070 |
| High resolution limit [Å] | 2.000 | 2.010 |
| Rmerge | 0.037 | 0.065 |
| Total number of observations | 82843 * | |
| Number of reflections | 41073 * | |
| <I/σ(I)> | 11.4 | 8.9 |
| Completeness [%] | 90.8 * | 84.9 * |
| Redundancy | 2 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 5 * | MPD, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | enzyme | 10 (mg/ml) | |
| 2 | 1 | drop | ammonium N-[tris(hydroxymethyl)methyl]-2-aminoethanesulfonate buffer | 50 (mM) | pH7.0 |
| 3 | 1 | drop | MES | 9 (%) | |
| 4 | 1 | drop | NAD+ | 10.6 (mM) | |
| 5 | 1 | drop | 2,3,4,5,6-pentafluorobenzyl alohol | 20 (mM) | |
| 6 | 1 | reservoir | MPD | 18 (%) |
