5X54

Crystal structure of the Keap1 Kelch domain in complex with a tetrapeptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-14
Detector	ADSC QUANTUM 270
Wavelength(s)	0.976486
Spacegroup name	P 21 21 21
Unit cell lengths	68.566, 75.705, 168.132
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 2.300
R-factor	0.16933
Rwork	0.167
R-free	0.20808
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1u6d
RMSD bond length	0.010
RMSD bond angle	1.432
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.380
High resolution limit [Å]	2.300	2.300
Rpim	0.060	0.283
Number of reflections	39255
<I/σ(I)>	12.3	3.1
Completeness [%]	98.7	100
Redundancy	7.2	6.5
CC(1/2)	0.996	0.846

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	bis-tris, sodium formate