7K2Q

Kelch domain of human KEAP1 bound to Nrf2 cyclic peptide, c[Ahx-DPETGE]

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.96707
Spacegroup name	C 1 2 1
Unit cell lengths	162.150, 68.750, 77.595
Unit cell angles	90.00, 117.43, 90.00

Refinement procedure

Resolution	42.120 - 2.370
R-factor	0.2209
Rwork	0.218
R-free	0.26380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wfl
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.120	2.455
High resolution limit [Å]	2.370	2.370
Rmerge	0.090	0.475
Rmeas	0.101	0.551
Rpim	0.044	0.270
Number of reflections	29995	2636
<I/σ(I)>	8.32	1.54
Completeness [%]	96.7	85.8
Redundancy	5	3.7
CC(1/2)	0.997	0.821

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	1.2 - 1.5 M Ammonium Sulfate, 0.5-0.7% PEG-MME-550, 0.1 M Bis-Tris pH = 6.0 - 6.5