9H1N

Dihydrolipoamide Acetyltransferase (E2) PSBD in complex with the Pyruvate Dehydrogenase (E1) binding domain from E. coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999990
Spacegroup name	P 41 21 2
Unit cell lengths	87.262, 87.262, 42.341
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.020 - 1.540
R-factor	0.2052
Rwork	0.204
R-free	0.22650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.236
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]	39.020	1.600
High resolution limit [Å]	1.540	1.540
Rmerge	0.012	0.618
Rmeas	0.017	0.874
Rpim	0.012	0.618
Number of reflections	24525	2383
<I/σ(I)>	19.07	1.1
Completeness [%]	99.9	99
Redundancy	2
CC(1/2)	0.998	0.546

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	56% Tacsimate pH 7.0