7K2J

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

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)	0.9767
Spacegroup name	C 1 2 1
Unit cell lengths	162.178, 68.874, 77.398
Unit cell angles	90.00, 117.54, 90.00

Refinement procedure

Resolution	27.780 - 2.520
R-factor	0.228
Rwork	0.224
R-free	0.27380
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]	27.800	2.611
High resolution limit [Å]	2.520	2.521
Number of reflections	25220	2424
<I/σ(I)>	3.04	1.92
Completeness [%]	97.8	94.94
Redundancy	1.5	1.4
CC(1/2)	0.265	0.060

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