9H2I

Dihydrolipoyl Dehydrogenase (E3) in complex with the binding domain of Dihydrolipoamide Acetyltransferase (E2) from the E. coli pyruvate dehydrogenase complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-03-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9762
Spacegroup name	P 21 21 21
Unit cell lengths	60.703, 88.353, 200.687
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.860 - 1.970
R-factor	0.1919
Rwork	0.190
R-free	0.23070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.913
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.300	2.000
High resolution limit [Å]	1.970	1.970
Rmerge	0.105	1.090
Rmeas	0.109	1.130
Rpim	0.030	0.300
Number of reflections	77255	3810
<I/σ(I)>	12.8	2.3
Completeness [%]	99.9	100
Redundancy	13.2	14.2
CC(1/2)	0.997	0.778

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	293	18% w/v PEG 3350, 200 mM disodium malonate, pH 4.0 1 uL reservoir + 2 uL 11.4 mg/mL E3:PSBD complex