1UC5
Structure of diol dehydratase complexed with (R)-1,2-propanediol
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 | 2001-11-09 |
Detector | MARRESEARCH |
Wavelength(s) | 0.708 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.640, 122.270, 207.430 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 * - 2.300 |
R-factor | 0.209 |
Rwork | 0.208 |
R-free | 0.25500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1egm |
RMSD bond length | 0.006 |
RMSD bond angle | 22.100 * |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 * | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.095 | 0.413 |
Total number of observations | 1033483 * | |
Number of reflections | 79408 * | |
Completeness [%] | 93.1 | 80.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | sandwich-drop vapor diffusion * | 8 | 4 * | PEG6000, ammonium sulfate, Tris, (R)-1,2,-propanediol, pH 8.0, VAPOR DIFFUSION, temperature 278K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 50-60 (mg/ml) | |
2 | 1 | reservoir | PEG6000 | 15 (%(w/v)) | |
3 | 1 | reservoir | ammonium sulfate | 0.23 (M) | |
4 | 1 | reservoir | Tris-HCl | 0.02 (M) | pH8.0 |
5 | 1 | reservoir | LDAO | 0.2 (%) |