7K2I

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

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)	0.9796
Spacegroup name	I 1 2 1
Unit cell lengths	77.183, 68.618, 143.534
Unit cell angles	90.00, 90.88, 90.00

Refinement procedure

Resolution	34.200 - 2.420
R-factor	0.2189
Rwork	0.216
R-free	0.26690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wfl
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.200	2.506
High resolution limit [Å]	2.420	2.420
Rmerge	0.074	0.692
Rmeas	0.104
Rpim	0.074	0.692
Number of reflections	55898	5497
<I/σ(I)>	5.7
Completeness [%]	98.8	97.94
Redundancy	2	2
CC(1/2)	0.993	0.528

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