7K2G

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

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	161.583, 68.665, 77.177
Unit cell angles	90.00, 117.50, 90.00

Refinement procedure

Resolution	27.030 - 2.150
R-factor	0.2317
Rwork	0.230
R-free	0.25990
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]	27.030	2.228
High resolution limit [Å]	2.150	2.151
Rmerge	0.043	0.551
Rmeas	0.051	0.364
Rpim	0.027	0.663
Number of reflections	37540	2603
<I/σ(I)>	5.9
Completeness [%]	98.1	91.1
Redundancy	3.4
CC(1/2)	1.000	0.670

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