1UC4
Structure of diol dehydratase complexed with (S)-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 | 2000-04-14 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.708 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 73.830, 121.950, 208.240 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 * - 1.800 |
| R-factor | 0.195 |
| Rwork | 0.195 |
| R-free | 0.23000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1egm |
| RMSD bond length | 0.006 |
| RMSD bond angle | 21.500 * |
| 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 * | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.055 | 0.119 |
| Total number of observations | 1991323 * | |
| Number of reflections | 152278 * | |
| Completeness [%] | 87.3 | 67.1 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | sandwich-drop vapor diffusion * | 8 | 4 * | PEG6000, ammonium sulfate, Tris, (S)-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 (%) |
