7XM2

Crystal structure of Keap1 Kelch domain (residues 322-609) in complex with NXPZ-2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2021-10-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9785
Spacegroup name	C 1 2 1
Unit cell lengths	126.256, 75.619, 48.651
Unit cell angles	90.00, 106.39, 90.00

Refinement procedure

Resolution	46.670 - 2.300
R-factor	0.1725
Rwork	0.168
R-free	0.21580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xmb
RMSD bond length	0.006
RMSD bond angle	0.988
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.140	0.670
Number of reflections	19560	1932
<I/σ(I)>	11
Completeness [%]	99.7
Redundancy	6.8

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