1MMF
Crystal structure of substrate free form of glycerol dehydratase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 5ID-B |
| Synchrotron site | APS |
| Beamline | 5ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-08-11 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 93.700, 110.070, 114.690 |
| Unit cell angles | 90.00, 107.64, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.500 |
| Rwork | 0.228 |
| R-free | 0.26900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dio |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.370 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.072 | 0.140 |
| Total number of observations | 302300 * | |
| Number of reflections | 67426 | |
| <I/σ(I)> | 11.6 | 3.1 |
| Completeness [%] | 87.7 | 50.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 298 | Amonium sulfate, RbCl2, CdCl2, cyanocobalamin, CHES, pH 9.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | ammonium sulfate | 1.1-1.3 (M) | |
| 2 | 1 | reservoir | 0.2 (M) | ||
| 3 | 1 | reservoir | 0.2 (mM) | ||
| 4 | 1 | reservoir | cyanocobalamin | 0.2 (M) | |
| 5 | 1 | reservoir | CHES-KOH | 0.1 (M) | pH9.4-9.7 |
| 6 | 1 | drop | protein | 8 (mg/ml) | |
| 7 | 1 | drop | HEPES-KOH | 50 (mM) | pH7.5 |
