5YPQ
Crystal structure of sulfated dehydroquinate dehydratase from Acinetobacter baumannii at 2.65 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-09-03 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.972 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 81.870, 155.500, 155.480 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 109.950 - 2.650 |
| R-factor | 0.1863 |
| Rwork | 0.183 |
| R-free | 0.25168 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5b6p |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.596 |
| Data reduction software | XDS |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 109.948 | 2.693 |
| High resolution limit [Å] | 2.647 | 2.647 |
| Rmerge | 0.121 | 0.701 |
| Number of reflections | 58629 | 2866 |
| <I/σ(I)> | 9.1 | 2.1 |
| Completeness [%] | 98.7 | 99.7 |
| Redundancy | 3.7 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 1.5M Ammonium Sulfate, 0.1M tris pH 8.5, 12% Glycerol |
