7XM3

Crystal structure of Keap1 Kelch domain (residues 322-609) in complex with 6k

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2022-01-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9792
Spacegroup name	C 1 2 1
Unit cell lengths	126.828, 76.116, 48.246
Unit cell angles	90.00, 105.19, 90.00

Refinement procedure

Resolution	42.860 - 2.800
R-factor	0.1809
Rwork	0.175
R-free	0.23290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xmb
RMSD bond length	0.005
RMSD bond angle	0.819
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX (1.17.1_3660)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.890
High resolution limit [Å]	2.800	2.800
Rmerge	0.278	1.076
Number of reflections	11043	1055
<I/σ(I)>	11.5
Completeness [%]	99.1
Redundancy	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.05 M Zinc acetate dihydrate, 20% w/v Polyethylene glycol 3,350