3WQC
D-threo-3-hydroxyaspartate dehydratase from Delftia sp. HT23
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-03-08 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.98000 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 157.689, 157.689, 158.784 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.630 - 1.500 |
| R-factor | 0.1227 |
| Rwork | 0.121 |
| R-free | 0.15180 |
| Structure solution method | SAD |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.177 |
| 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 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.089 | 0.765 |
| Number of reflections | 157557 | |
| <I/σ(I)> | 33.66 | 4.99 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 14.7 | 14.6 |
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 |
