1N92
Horse Liver Alcohol Dehydrogenase Complexed with NAD+ and 4-Iodopyrazole
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-03-28 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 44.200, 51.050, 93.230 |
| Unit cell angles | 78.96, 75.47, 70.24 |
Refinement procedure
| Resolution | 20.000 - 1.470 |
| R-factor | 0.151 |
| Rwork | 0.151 |
| R-free | 0.18300 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hld |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.630 * |
| 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 | 1.508 |
| High resolution limit [Å] | 1.470 | 1.470 |
| Rmerge | 0.054 | 0.127 |
| Total number of observations | 227408 * | |
| Number of reflections | 109109 | |
| <I/σ(I)> | 5.9 | 4.1 |
| Completeness [%] | 88.8 | 69 |
| Redundancy | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Microdialysis * | 6.7 * | 4 * | MPD, pH 7.0, Dialysis, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | enzyme | 10 (mg/ml) | |
| 2 | 1 | 2 | ammonium TES | 50 (mM) | |
| 3 | 1 | 2 | EDTA | 0.25 (mM) | pH6.7 |
| 4 | 1 | 2 | NAD+ | 1 (mM) | |
| 5 | 1 | 2 | 4-iodopyrazole | 1 (mM) | |
| 6 | 1 | 2 | MPD | 16 (%) |
