5V65

Crystal structure of macrocycles containing Abeta 17-23 (LV(PHI)FAED) and Abeta 30-36 (AII(SAR)L(ORN)V)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-06
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54
Spacegroup name	H 3
Unit cell lengths	67.719, 67.719, 169.612
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.860 - 2.520
R-factor	0.228
Rwork	0.222
R-free	0.28100
Structure solution method	SAD
RMSD bond length	0.004
RMSD bond angle	0.915
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.860	2.610
High resolution limit [Å]	2.520	2.520
Rmerge	0.683	0.670
Number of reflections	9726	906
<I/σ(I)>	240.79	25.2
Completeness [%]	98.8	98.84
Redundancy	12.7	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		296.15	0.1 M HEPES, pH 6 24% Jeffamine