5VJG
horse liver alcohol dehydrogenase complexed with 2,2'bipyridine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-05-23 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 55.450, 73.700, 181.140 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.900 |
R-factor | 0.2075 |
Rwork | 0.204 |
R-free | 0.28360 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8adh |
RMSD bond length | 0.016 |
RMSD bond angle | 1.804 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.118 | 0.342 |
Number of reflections | 27148 | 2560 |
<I/σ(I)> | 9.8 | 3.5 |
Completeness [%] | 95.3 | 87.4 |
Redundancy | 6.99 | 5.04 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICRODIALYSIS | 8.4 | 278 | Dialysis of 10 mg protein/ml against 50 mM Tris-HCl, pH 8.4, as the concentration of 2-methyl-2,4-pentanediol concentration was raised to 25 %. Crysta was soaked for 3 hr iwth 30 mM 2,2'-bipyridine before flash vitrification with liquid N2.l |