5WG1

Kelch domain of human Keap1 bound to mutant Nrf2 EAGE peptide

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	2016-01-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	C 1 2 1
Unit cell lengths	161.809, 68.649, 77.126
Unit cell angles	90.00, 117.54, 90.00

Refinement procedure

Resolution	34.325 - 2.021
R-factor	0.2334
Rwork	0.232
R-free	0.26760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wfl
RMSD bond length	0.004
RMSD bond angle	0.688
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]	34.320	2.094
High resolution limit [Å]	2.021	2.021
Rmerge	0.154	0.327
Number of reflections	46561	4570
<I/σ(I)>	6.27	2.03
Completeness [%]	95.0	94
Redundancy	2.5	2.5
CC(1/2)	0.971	0.862

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