3CB3
Crystal structure of L-Talarate dehydratase from Polaromonas sp. JS666 complexed with Mg and L-glucarate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-02-03 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97915 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 195.466, 84.739, 118.247 |
| Unit cell angles | 90.00, 126.04, 90.00 |
Refinement procedure
| Resolution | 24.910 - 2.000 |
| R-factor | 0.21 |
| Rwork | 0.210 |
| R-free | 0.23900 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.200 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 25.000 |
| High resolution limit [Å] | 2.000 |
| Rmerge | 0.081 |
| Number of reflections | 99986 |
| Completeness [%] | 94.7 |
| Redundancy | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.2M Proline, 0.1M Hepes, 10% PEG 3350, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
