6SP4

KEAP1 IN COMPLEX WITH COMPOUND 23

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	2015-10-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00000
Spacegroup name	P 1 21 1
Unit cell lengths	112.452, 91.875, 112.313
Unit cell angles	90.00, 119.89, 90.00

Refinement procedure

Resolution	47.990 - 2.590
R-factor	0.1757
Rwork	0.175
R-free	0.22470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	NONE
RMSD bond length	0.008
RMSD bond angle	1.256
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.990	2.805
High resolution limit [Å]	2.590	2.600
Rmerge	0.083	0.431
Number of reflections	59516	12142
<I/σ(I)>	10.8	2.69
Completeness [%]	97.0	97.8
Redundancy	2.9	3

Crystallization Conditions

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