5WFV

Kelch domain of human Keap1 bound to Nrf2 ETGE peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-29
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.979100
Spacegroup name	C 1 2 1
Unit cell lengths	162.919, 69.253, 79.228
Unit cell angles	90.00, 118.50, 90.00

Refinement procedure

Resolution	52.140 - 1.910
R-factor	0.2002
Rwork	0.200
R-free	0.22740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wlf
RMSD bond length	0.007
RMSD bond angle	0.900
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.140	1.978
High resolution limit [Å]	1.690	1.910
Rmerge	0.069	0.330
Number of reflections	58943	5843
<I/σ(I)>	15.18	3.74
Completeness [%]	93.0	97
Redundancy	3.5	3.6
CC(1/2)	0.994	0.886

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		290	1.2 - 1.5 M Ammonium Sulfate, 0.1 M Bis-Tris pH = 6.0 - 6.5