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 |
