7YEN

Crystal structure of the Keap1 Kelch domain in complex with Caffeic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-X
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-02
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	2.0
Spacegroup name	P 61
Unit cell lengths	103.080, 103.080, 54.761
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	23.328 - 2.800
Rwork	0.183
R-free	0.23690
Structure solution method	AB INITIO PHASING
RMSD bond length	0.007
RMSD bond angle	1.568
Data reduction software	CrysalisPro
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.328	2.871
High resolution limit [Å]	2.800	2.800
Number of reflections	8306	8308
<I/σ(I)>	45.15
Completeness [%]	99.8
Redundancy	7.8
CC(1/2)	0.998	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	Ammonium sulfate, Lithium sulfate, Sodium citrate, pH 5.5