5YDB
Crystal structure of the complex of type II dehydroquinate dehydratase from Acinetobacter baumannii with dehydroquinic acid at 1.76 Angstrom resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-07-05 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97 |
| Spacegroup name | H 3 |
| Unit cell lengths | 139.117, 139.117, 79.587 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 69.560 - 1.760 |
| R-factor | 0.19926 |
| Rwork | 0.197 |
| R-free | 0.24766 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5b6p |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.153 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 69.560 | 1.820 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Number of reflections | 56929 | |
| <I/σ(I)> | 8.2 | 0.7 |
| Completeness [%] | 98.3 | 98.8 |
| Redundancy | 2.8 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.05M Cadmium sulfate hydrate, 0.1M HEPES, PH 7.5, IM Sodium acetate trihydrate |
