7K2M

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-22
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.9201
Spacegroup name	C 1 2 1
Unit cell lengths	162.765, 68.856, 77.389
Unit cell angles	90.00, 117.90, 90.00

Refinement procedure

Resolution	29.550 - 2.020
R-factor	0.2381
Rwork	0.237
R-free	0.26050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wfl
RMSD bond length	0.004
RMSD bond angle	0.810
Data reduction software	HKL-2000
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]	29.550	2.093
High resolution limit [Å]	2.020	2.021
Rmerge	0.031	0.317
Rmeas	0.044	0.448
Rpim	0.031	0.317
Number of reflections	48667	4638
<I/σ(I)>	15.48	2.28
Completeness [%]	97.9	93.82
Redundancy	2	2
CC(1/2)	0.999	0.866

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