3WQF
D-threo-3-hydroxyaspartate dehydratase from Delftia sp. HT23 in the metal-free form
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 | 2013-12-11 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.98000 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 157.844, 157.844, 157.860 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.920 - 2.300 |
| R-factor | 0.19991 |
| Rwork | 0.198 |
| R-free | 0.23865 |
| Structure solution method | SAD |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.897 |
| 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 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.112 | 0.727 |
| Number of reflections | 44400 | |
| <I/σ(I)> | 28.63 | 7.13 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 14.7 | 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 |
