4IFL

Crystal Structures of apo Keap1, Keap1-peptide, and Keap1-compound complexes

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	180
Detector technology	IMAGE PLATE
Collection date	2012-08-20
Detector	RIGAKU RAXIS HTC
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	77.499, 92.030, 46.158
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.660 - 1.800
R-factor	0.19274
Rwork	0.190
R-free	0.23463
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.030
RMSD bond angle	2.068
Data reduction software	CrystalClear
Data scaling software	CrystalClear
Phasing software	AMoRE
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.660	1.847
High resolution limit [Å]	1.800	1.800
Number of reflections	26303
Completeness [%]	88.4	44.54

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	0.2 M Sodium Fluoride, 0.1 M Bis-Tris Propance pH 7.5, 20 % PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 277K