3PII
Crystal structure of Mutant of ht- Alcohol Dehydrogenase with substrate analogue butyramide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 93 |
Detector technology | IMAGE PLATE |
Detector | RIGAKU RAXIS IV |
Spacegroup name | P 63 |
Unit cell lengths | 145.650, 145.650, 135.518 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.610 - 2.900 |
R-factor | 0.21002 |
Rwork | 0.206 |
R-free | 0.28595 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.016 |
RMSD bond angle | 1.870 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 2.900 |
Number of reflections | 36059 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 303 | 2.5M ammonium sulfate 2% PEG400 100mM HEPES pH7.5, VAPOR DIFFUSION, temperature 303K |