7K29

Kelch domain of human KEAP1 bound to Nrf2 peptide, LDEETGEAL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-17
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.9201
Spacegroup name	C 1 2 1
Unit cell lengths	162.548, 68.925, 77.071
Unit cell angles	90.00, 117.70, 90.00

Refinement procedure

Resolution	29.370 - 2.200
R-factor	0.232
Rwork	0.229
R-free	0.26900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wfl
RMSD bond length	0.008
RMSD bond angle	0.990
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.370	2.278
High resolution limit [Å]	2.199	2.199
Rmerge	0.040	0.379
Rmeas	0.057	0.536
Rpim	0.040	0.379
Number of reflections	38300	3731
<I/σ(I)>	12.52	1.92
Completeness [%]	99.4	97.26
Redundancy	1.9	1.9
CC(1/2)	0.998	0.786

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	1.2 - 1.5 M Ammonium Sulfate, 0.5-0.7% PEG-MME-550, 0.1 M Bis-Tris pH = 6.0 - 6.5