6AON
1.72 Angstrom Resolution Crystal Structure of 2-Oxoglutarate Dehydrogenase Complex Subunit Dihydrolipoamide Dehydrogenase from Bordetella pertussis in Complex with FAD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-06-22 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97856 |
Spacegroup name | P 41 |
Unit cell lengths | 68.801, 68.801, 199.396 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.920 - 1.720 |
R-factor | 0.17133 |
Rwork | 0.170 |
R-free | 0.20529 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5u8u |
RMSD bond length | 0.008 |
RMSD bond angle | 1.420 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MoRDa |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.750 |
High resolution limit [Å] | 1.720 | 1.720 |
Rmerge | 0.086 | 0.781 |
Rpim | 0.041 | 0.378 |
Number of reflections | 96213 | 4725 |
<I/σ(I)> | 14.7 | 2 |
Completeness [%] | 97.7 | 96.7 |
Redundancy | 5 | 5 |
CC(1/2) | 0.648 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | Protein in 0.3 M sodium chloride, 0.01 M HEPES, pH 7.5 against screen (0.2 M calcium acetate, 20% w/v PEG3350) |