1IWB
Crystal structure of diol dehydratase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-04-14 |
Detector | MARRESEARCH |
Wavelength(s) | 0.708 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 75.790, 122.400, 207.590 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.850 |
R-factor | 0.181 |
Rwork | 0.181 |
R-free | 0.25600 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.021 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.920 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.054 * | 0.176 * |
Total number of observations | 1656266 * | |
Number of reflections | 126694 | |
Completeness [%] | 76.7 | 53.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | sandwich-drop vapor diffusion * | 8 | 4 * | PEG6000, potassium phosphate, Tris, lithium chloride, N,N-dimethyllaurylamineoxide, pH 8.0, VAPOR DIFFUSION, temperature 278K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | enzyme | 50 (mg/ml) | |
2 | 1 | drop | potassium phosphate | 10 (mM) | pH8.0 |
3 | 1 | drop | LDAO | 0.10 (%) | |
4 | 1 | drop | CN-Cbl | 20000 (nM) | |
5 | 1 | reservoir | PEG6000 | 15 (%(w/v)) | |
6 | 1 | reservoir | 0.24 (M) | ||
7 | 1 | reservoir | Tris-HCl | 20 (mM) | pH8.0 |