4RQT
Alcohol Dehydrogenase Crystal Structure
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 77 |
Detector technology | IMAGE PLATE |
Collection date | 2012-05-01 |
Detector | RIGAKU RAXIS VII |
Wavelength(s) | 1.5418 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 103.604, 103.604, 168.127 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.505 - 2.300 |
R-factor | 0.1648 |
Rwork | 0.162 |
R-free | 0.20050 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2fzw |
RMSD bond length | 0.005 |
RMSD bond angle | 0.838 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.370 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.076 | 0.513 |
Number of reflections | 24387 | |
<I/σ(I)> | 5.8 | |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 12.2 | 12.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 5.9 | 295 | 2.0M ammonium sulfate, 0.1M acetate pH5.9, 1% glycerol, EVAPORATION, temperature 295K |