9UJI

Crystal structure of the BTB domain mouse Keap1 in complex with CDDO-Im

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9
Spacegroup name	P 1 21 1
Unit cell lengths	73.554, 79.464, 110.876
Unit cell angles	90.00, 94.60, 90.00

Refinement procedure

Resolution	42.520 - 2.435
Rwork	0.206
R-free	0.25640
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.520	2.480
High resolution limit [Å]	2.435	2.435
Number of reflections	46884	2659
<I/σ(I)>	15.32
Completeness [%]	97.8
Redundancy	3.5
CC(1/2)	0.998	0.889

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	100mM Tris-HCl (pH 8.0), 200mM CaCl2, 13% PEG 3350, 2% 2-propanol