7X4W

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2020-12-25
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.58
Spacegroup name	P 21 21 21
Unit cell lengths	84.538, 99.105, 143.136
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.826 - 3.209
R-factor	0.2437
Rwork	0.237
R-free	0.29790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4cxi
RMSD bond length	0.002
RMSD bond angle	0.417
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.826	3.300
High resolution limit [Å]	3.200	3.200
Number of reflections	19199	1811
<I/σ(I)>	6.8
Completeness [%]	94.6
Redundancy	8.4
CC(1/2)	1.000	0.500

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	0.2 M lithium acetate, 20% PEG 3350