1X8L
Crystal structure of retinol dehydratase in complex with all-trans-4-oxoretinol and inactive cofactor PAP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-10-17 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 82.506, 67.192, 85.066 |
| Unit cell angles | 90.00, 111.85, 90.00 |
Refinement procedure
| Resolution | 15.000 - 2.100 |
| R-factor | 0.19853 |
| Rwork | 0.196 |
| R-free | 0.23134 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fmj |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.588 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.150 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 45373 | |
| <I/σ(I)> | 13.3 | 2.4 |
| Completeness [%] | 89.0 | 96 |
| Redundancy | 2.7 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.6 | 289 | 7.5% PEG4000, 0.1M Na Hepes, 0.05M calcium chloride, 4% glycerol, pH 6.6, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
