7JQT

Abeta 16-36 beta-hairpin mimic with E22K Italian mutation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	123.15
Detector technology	CCD
Collection date	2017-09-15
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54
Spacegroup name	H 3 2
Unit cell lengths	41.361, 41.361, 56.796
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	17.081 - 2.080
R-factor	0.2075
Rwork	0.202
R-free	0.25720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7jqr
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	17.081	2.154
High resolution limit [Å]	2.080	2.080
Rmerge	0.009	0.009
Number of reflections	2159	125
<I/σ(I)>	112.71
Completeness [%]	97.6
Redundancy	40.7
CC(1/2)	0.999	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		297.15	sodium thiocyanate, PEG 3350