6TYP

KEAP1 Kelch domain in complex with Compound 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-10-15
Detector	DECTRIS PILATUS 300K
Wavelength(s)	0.98
Spacegroup name	C 1 2 1
Unit cell lengths	125.792, 75.679, 48.648
Unit cell angles	90.00, 106.81, 90.00

Refinement procedure

Resolution	50.000 - 2.500
Rwork	0.174
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4iqk
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.650
High resolution limit [Å]	2.490	2.490
Number of reflections	15170	786
<I/σ(I)>	8.8
Completeness [%]	99.7
Redundancy	3.4
CC(1/2)	0.990	0.410

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289	3.0M sodium formate pH 7.0