8PKV

Kelch domain of KEAP1 in complex with a ortho-dimethylbenzene linked cyclic peptide 4 (ortho-WRCDEETGEC).

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)	1.00001
Spacegroup name	C 1 2 1
Unit cell lengths	162.957, 68.861, 77.950
Unit cell angles	90.00, 117.66, 90.00

Refinement procedure

Resolution	42.190 - 1.550
R-factor	0.1578
Rwork	0.157
R-free	0.19190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.781
Data reduction software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.190	1.640
High resolution limit [Å]	1.550	1.550
Number of reflections	107030	16859
<I/σ(I)>	18.77	1.06
Completeness [%]	96.4
Redundancy	7.07
CC(1/2)	1.000	0.495

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