3WQE
D-threo-3-hydroxyaspartate dehydratase from Delftia sp. HT23 complexed with D-allothreonine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-11-09 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 157.978, 157.978, 158.860 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.330 - 1.600 |
| R-factor | 0.16666 |
| Rwork | 0.166 |
| R-free | 0.18235 |
| Structure solution method | SAD |
| RMSD bond length | 0.029 |
| RMSD bond angle | 2.591 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXCD |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.092 | 0.573 |
| Number of reflections | 130617 | |
| <I/σ(I)> | 33.65 | 6.89 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 14.8 | 14.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 13% PEG3350, 0.2M MgCl2, 0.1M Tris-HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
