7K2B

Kelch domain of human KEAP1 bound to Nrf2 peptide, ADEETGEFA

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)	0.9201
Spacegroup name	C 1 2 1
Unit cell lengths	161.720, 68.755, 77.617
Unit cell angles	90.00, 117.60, 90.00

Refinement procedure

Resolution	39.230 - 2.310
R-factor	0.218
Rwork	0.215
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wfl
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]	39.230	2.393
High resolution limit [Å]	2.310	2.311
Rmerge	0.070	0.370
Rmeas	0.078	0.411
Rpim	0.033	0.174
Number of reflections	32606	3205
<I/σ(I)>	10.29	2.98
Completeness [%]	98.0	97.71
Redundancy	5.1	5.1
CC(1/2)	0.998	0.927

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