4ZC1
Crystal Structure of type II Dehydroquinate dehydratase from Acinetobacter baumannii with a different crystal form at 2.52 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 | 2014-11-14 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 97.914, 136.008, 142.878 |
| Unit cell angles | 90.00, 97.59, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.520 |
| R-factor | 0.21751 |
| Rwork | 0.215 |
| R-free | 0.27325 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4rc9 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.253 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.560 |
| High resolution limit [Å] | 2.520 | 2.520 |
| Rmerge | 0.639 | |
| Number of reflections | 62069 | |
| <I/σ(I)> | 13.3 | 2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 30% PEG3350, MgSO4, Tris buffer |
