7ZPE

human branched Chain Keto Acid Dehydrogenase Kinase in complex with ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.972
Spacegroup name	P 42 21 2
Unit cell lengths	129.594, 129.594, 73.215
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	91.640 - 2.640
R-factor	0.2244
Rwork	0.223
R-free	0.25480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4e01
RMSD bond length	0.007
RMSD bond angle	0.850
Data reduction software	autoPROC (1.1.7)
Data scaling software	autoPROC (1.1.7)
Phasing software	PHASER
Refinement software	BUSTER (2.11.8 (26-JUL-2023))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	91.700	2.760
High resolution limit [Å]	2.640	2.640
Number of reflections	17091	855
<I/σ(I)>	19.8
Completeness [%]	90.4	57.2
Redundancy	11.5	12.6
CC(1/2)	0.990	0.885

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	20 mM Hepes pH 7.5, 0.8 M NaCl, 250 mM KCl, 300 mM arginine,and 1 mM TCEP