8EGU

Branched chain ketoacid dehydrogenase kinase complexes

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 64 2 2
Unit cell lengths	111.159, 111.159, 141.744
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	96.270 - 1.923
R-factor	0.2395
Rwork	0.238
R-free	0.26890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4e01
RMSD bond length	0.008
RMSD bond angle	0.880
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	BUSTER
Refinement software	BUSTER (2.11.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	96.267	2.101
High resolution limit [Å]	1.923	1.923
Rmerge	0.081	1.393
Rpim	0.019	0.338
Number of reflections	29906	1494
<I/σ(I)>	18.5	1.8
Completeness [%]	87.1	42
Redundancy	19.2
CC(1/2)	0.999	0.757

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	100 mM sodium citrate pH 5.6, 800 mM lithium sulfate, and 750 mM ammonium sulfate