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 |