4RHC
Crystal structure of 3-Dehydroquinate dehydratase from Acinetobacter baumannii at 2.68 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2013-04-29 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 101.827, 133.243, 136.851 |
| Unit cell angles | 90.00, 97.99, 90.00 |
Refinement procedure
| Resolution | 38.380 - 2.680 |
| R-factor | 0.2301 |
| Rwork | 0.227 |
| R-free | 0.28701 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lwz |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.827 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.500 | 2.780 |
| High resolution limit [Å] | 2.680 | 2.680 |
| Number of reflections | 50314 | |
| <I/σ(I)> | 8.2 | 2 |
| Completeness [%] | 99.9 | 99.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.1M Tris-HCL, 1M Ammonium Sulfate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
