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)