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)) |