5WFL

Kelch domain of human Keap1 in open unliganded conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97954
Spacegroup name	C 1 2 1
Unit cell lengths	162.314, 68.730, 77.167
Unit cell angles	90.00, 117.73, 90.00

Refinement procedure

Resolution	35.918 - 1.930
R-factor	0.1978
Rwork	0.197
R-free	0.22190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xtg
RMSD bond length	0.014
RMSD bond angle	1.389
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.920	1.999
High resolution limit [Å]	1.930	1.930
Rmerge	0.092	0.213
Number of reflections	55204	5414
<I/σ(I)>	10.26	3.3
Completeness [%]	97.0	96
Redundancy	3.5	3.4
CC(1/2)	0.990	0.966

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		290	1.2 - 1.5 M ammonium sulfate, 0.1 M Bis-Tris pH = 6.0 - 6.5