1A72
AN ACTIVE-SITE DOUBLE MUTANT (PHE93->TRP, VAL203->ALA) OF HORSE LIVER ALCOHOL DEHYDROGENASE IN COMPLEX WITH THE ISOSTERIC NAD ANALOG CPAD
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 275 |
| Detector technology | AREA DETECTOR |
| Collection date | 1993-12-15 |
| Detector | XENTRONICS |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 55.500, 74.200, 179.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.600 |
| R-factor | 0.176 |
| Rwork | 0.176 |
| R-free | 0.30000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8adh |
| RMSD bond length | 0.013 |
| RMSD bond angle | 25.300 * |
| Data reduction software | XDS |
| Data scaling software | X-GEN |
| Phasing software | X-PLOR (3.0) |
| Refinement software | X-PLOR (3.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.000 | 2.680 |
| High resolution limit [Å] | 2.600 | 2.560 |
| Rmerge | 0.078 | |
| Total number of observations | 16939 * | |
| Number of reflections | 10388 | |
| <I/σ(I)> | 6 | 2 |
| Completeness [%] | 76.9 | 43 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 8.4 | 4 * | CRYSTALS GROWN FROM 4 MICROLITER HANGING DROPS OF 10MG/ML PROTEIN IN 50 MM TRIS BUFFER (PH8.4 @4C) 4% (V/V) ETOH EQUILIBRATED AT 4C WITH WELLS CONTAINING 11-13% ETOH, vapor diffusion - hanging drop, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 13 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 50 (mM) | |
| 3 | 1 | drop | PEG400 | 4 (%(v/v)) | |
| 4 | 1 | drop | NAD | 5 (mM) | |
| 5 | 1 | reservoir | Tris-HCl | 50 (mM) | |
| 6 | 1 | reservoir | PEG400 | 18 (%(v/v)) |
