8PKS

Low resolution crystal structure of Keap1-456, a repeat fragment from the human Keap1 beta-propeller

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-20
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.000030
Spacegroup name	P 21 21 21
Unit cell lengths	46.846, 220.962, 248.750
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.540 - 2.600
R-factor	0.2161
Rwork	0.214
R-free	0.25910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.814
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.540	2.760
High resolution limit [Å]	2.600	2.700
Rmerge	0.075	0.773
Rmeas	0.080	0.815
Rpim	0.026	0.258
Total number of observations		44335
Number of reflections	81023	4486
<I/σ(I)>	23.1	3.2
Completeness [%]	100.0
Redundancy	9.3	9.9
CC(1/2)	0.999	0.839

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293.15	0.1 M Bis-Tris pH 5.5, 2 M Ammonium sulfate