1A71
TERNARY COMPLEX OF AN ACTIVE SITE DOUBLE MUTANT OF HORSE LIVER ALCOHOL DEHYDROGENASE, PHE93=>TRP, VAL203=>ALA WITH NAD AND TRIFLUOROETHANOL
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-05 |
| Detector | RIGAKU RAXIS II |
| Spacegroup name | P 1 |
| Unit cell lengths | 50.600, 44.100, 92.600 |
| Unit cell angles | 103.00, 87.90, 70.70 |
Refinement procedure
| Resolution | 10.000 - 2.000 |
| R-factor | 0.199 |
| Rwork | 0.199 |
| R-free | 0.28800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ohx |
| RMSD bond length | 0.008 |
| RMSD bond angle | 24.000 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.071 | 0.340 |
| Total number of observations | 77199 * | |
| Number of reflections | 38046 | |
| <I/σ(I)> | 7.5 | 2 |
| Completeness [%] | 77.1 | 42.3 |
| Redundancy | 1.7 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 8.4 | 4 * | 4MICROLITER HANGING DROPS TRIS PH 8.4 AT 4C, 5MM TRIFLUROETHANOL, 4% PEG400 EQUILIBRATED AGAINST WELLS CONTAINING 5MM TFE AND 18%PEG 400, vapor diffusion - hanging drop |
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)) |
