8PKX

Kelch domain of KEAP1 in complex with a ortho-dimethylbenzene linked cyclic peptide 11 (ortho-WRCNPETaEC).

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.99999
Spacegroup name	C 1 2 1
Unit cell lengths	162.430, 68.877, 78.252
Unit cell angles	90.00, 117.68, 90.00

Refinement procedure

Resolution	42.240 - 1.790
R-factor	0.176
Rwork	0.175
R-free	0.20980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.836
Data reduction software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.240	1.900
High resolution limit [Å]	1.790	1.790
Number of reflections	72288	11545
<I/σ(I)>	16.53	1.27
Completeness [%]	99.6
Redundancy	6.93
CC(1/2)	0.999	0.580

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	100 mM Bis-Tris pH 6.5, 1.5 M NH4SO4, 0.2 % PEG 550