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 |