6SP1

KEAP1 IN COMPLEX WITH COMPOUND 6

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	2015-02-18
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	76.164, 76.387, 204.839
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	102.420 - 2.570
R-factor	0.2009
Rwork	0.201
R-free	0.21560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	NONE
RMSD bond length	0.008
RMSD bond angle	1.044
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	102.420	2.820
High resolution limit [Å]	2.570	2.570
Rmerge	0.060	0.436
Rmeas	0.070	0.016
Number of reflections	36564	194
<I/σ(I)>	14.62	14.62
Completeness [%]	94.0	94
Redundancy	3.3	3.5
CC(1/2)	0.998	1.000

Crystallization Conditions

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