7XM5

Keap1 Kelch domain (residues 322-609) in complex with 6i

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	126.247, 76.211, 48.203
Unit cell angles	90.00, 105.21, 90.00

Refinement procedure

Resolution	40.520 - 2.400
R-factor	0.178
Rwork	0.174
R-free	0.21780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xmb
RMSD bond length	0.007
RMSD bond angle	0.985
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	2.480
High resolution limit [Å]	2.400	2.400
Rmerge	0.149	1.176
Number of reflections	17393	1683
<I/σ(I)>	12.5
Completeness [%]	99.5
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