6LRZ

Crystal structure of Keap1 in complex with dimethyl fumarate (DMF)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-07
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.540
Spacegroup name	P 61
Unit cell lengths	104.079, 104.079, 56.666
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	21.780 - 1.540
R-factor	0.2097
Rwork	0.208
R-free	0.23830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dyh
Data reduction software	Aimless
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.18_3855)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	23.650	23.650	1.530
High resolution limit [Å]	1.500	8.220	1.500
Rmerge	0.075	0.041	1.557
Rmeas	0.079	0.043	1.724
Rpim	0.025	0.013	0.731
Total number of observations	456974	3890	14936
Number of reflections	55972	354	2748
<I/σ(I)>	12.6	42.8	0.8
Completeness [%]	99.8	95.2	100
Redundancy	8.2	11	5.4
CC(1/2)	0.999	0.999	0.683

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	PEG 8000, Lithium Sulphate, Glycerol, Sodium Acetate