5X47
Crystal structure of dehydroquinate dehydratase from Acinetobacter baumannii at 2.5 Angstrom resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-06-27 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 97.993, 136.254, 143.209 |
| Unit cell angles | 90.00, 97.59, 90.00 |
Refinement procedure
| Resolution | 47.932 - 2.540 |
| R-factor | 0.25521 |
| Rwork | 0.253 |
| R-free | 0.30524 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5wrf |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.120 |
| 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] | 49.150 | 2.590 |
| High resolution limit [Å] | 2.540 | 2.540 |
| Number of reflections | 61621 | 61621 |
| <I/σ(I)> | 7.18 | 1.3 |
| Completeness [%] | 69.4 | 92 |
| Redundancy | 2.55 | 1.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 30% PEG3350, MgSO4, Tris buffer |
