1MG0
Horse Liver Alcohol Dehydrogenase Complexed With NAD+ and 2,3-Difluorobenzyl Alcohol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-11-12 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.114, 180.310, 86.912 |
| Unit cell angles | 90.00, 105.99, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.800 |
| R-factor | 0.17969 |
| Rwork | 0.179 |
| R-free | 0.21400 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hld |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.290 * |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.27) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.040 | 0.180 |
| Total number of observations | 243387 * | |
| Number of reflections | 118298 | |
| <I/σ(I)> | 16 | 3.1 |
| Completeness [%] | 88.0 * | 50 |
| Redundancy | 2.1 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Microdialysis * | 6.7 * | 25 * | MPD, pH 7.0, Dialysis, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | MPD | 11 (%) | |
| 2 | 1 | 1 | N-[Tris(hydroxymethyl)methyl]-2-aminoethanesulfonate buffer | 50 (mM) | |
| 3 | 1 | 1 | EDTA | 0.25 (mM) | pH6.7 |
| 4 | 1 | 1 | NAD+ | 1 (mM) | |
| 5 | 1 | 1 | 2,3-difluorobenzyl alcohol | 17 (mM) | |
| 6 | 1 | 2 | enzyme | 10 (mg/ml) |
