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. |
