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 |
