5VJ5
Horse Liver Alcohol Dehydrogenase Complexed with 1,10-Phenanthroline
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-05-20 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.280, 73.410, 180.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| R-factor | 0.2485 |
| Rwork | 0.247 |
| R-free | 0.29540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ju9 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.807 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0151) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.079 | 0.384 |
| Number of reflections | 55508 | 5486 |
| <I/σ(I)> | 8.8 | 2.9 |
| Completeness [%] | 96.1 | 94.3 |
| Redundancy | 5.3 | 3.38 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICRODIALYSIS | 8.4 | 278 | 50 mM Tris-HCl, pH 8.4, 10 mg protein/ml in dialysis bag, dialyzed against 2-methyl-2,4-pentanediol, raised slowly to 25 %. Crystals soaked with 5 mM 1,10-phenanthroline for 2 hr at 278K, and flash vitrified in liquid N2. |
