6BZ0
1.83 Angstrom Resolution Crystal Structure of Dihydrolipoyl Dehydrogenase from Acinetobacter baumannii in Complex with FAD.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-10-17 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 1 |
Unit cell lengths | 57.965, 82.769, 96.262 |
Unit cell angles | 80.38, 80.21, 89.49 |
Refinement procedure
Resolution | 29.630 - 1.830 |
R-factor | 0.18125 |
Rwork | 0.179 |
R-free | 0.22202 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5u8u |
RMSD bond length | 0.008 |
RMSD bond angle | 1.395 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MoRDa |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.860 |
High resolution limit [Å] | 1.830 | 1.830 |
Rmerge | 0.080 | 0.803 |
Rmeas | 0.093 | 0.928 |
Rpim | 0.047 | 0.466 |
Number of reflections | 150403 | 7400 |
<I/σ(I)> | 15.2 | 2.1 |
Completeness [%] | 97.6 | 96.2 |
Redundancy | 3.9 | 4 |
CC(1/2) | 0.696 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | Protein: 22.6 mg/ml, 0.5M Sodium chloride, 0.01M Tris HCl (pH 8.3); Screen: Classics II (G10), 0.2M Magnesium chloride, 0.1M Bis-Tris (pH 5.5), 25% (w/v) PEG 3350. |