6T7Z

KEAP1 IN COMPLEX WITH COMPOUND 44

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00001
Spacegroup name	P 32 2 1
Unit cell lengths	75.153, 75.153, 114.510
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	65.080 - 2.000
R-factor	0.2243
Rwork	0.222
R-free	0.25730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	NONE
RMSD bond length	0.007
RMSD bond angle	1.103
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.080	2.250
High resolution limit [Å]	2.000	2.000
Rmerge	0.071	0.438
Rmeas	0.082	0.042
Number of reflections	25523	121
<I/σ(I)>	13.33	13.33
Completeness [%]	98.5	97.8
Redundancy	4.1	4.1
CC(1/2)	0.998	0.995

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	ammonium acetate