7K2H

Kelch domain of human KEAP1 bound to Nrf2 cyclic peptide, c[GDPETGE]

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	2019-01-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	C 1 2 1
Unit cell lengths	162.241, 68.597, 77.274
Unit cell angles	90.00, 117.74, 90.00

Refinement procedure

Resolution	27.670 - 2.090
R-factor	0.2271
Rwork	0.225
R-free	0.26470
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]	27.670	2.166
High resolution limit [Å]	2.090	2.091
Rmerge	0.067	0.371
Rmeas	0.079	0.447
Rpim	0.042	0.244
Number of reflections	43880	4006
<I/σ(I)>	7.56	1.92
Completeness [%]	97.8	90.82
Redundancy	3.4	3.2
CC(1/2)	0.994	0.865

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