5WRF
Crystal structure of dodecameric type II dehydroquinate dehydratase from Acinetobacter baumannii with unexplained connecting electron density between free cysteine residues of molecular pairs
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 | 2016-09-22 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 97.801, 135.750, 142.740 |
| Unit cell angles | 90.00, 97.53, 90.00 |
Refinement procedure
| Resolution | 37.750 - 2.510 |
| R-factor | 0.21002 |
| Rwork | 0.209 |
| R-free | 0.25588 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4rhc |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.094 |
| 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] | 37.750 | 2.540 |
| High resolution limit [Å] | 2.510 | 2.510 |
| Number of reflections | 63061 | |
| <I/σ(I)> | 13.4 | |
| Completeness [%] | 95.3 | 94.6 |
| Redundancy | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 30% PEG3350, MgSO4, Tris buffer |
