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. |