8T89

Racemic mixture of amyloid beta segment 16-KLVFFA-21 forms heterochiral rippled beta-sheet

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-31
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P -1
Unit cell lengths	11.690, 11.700, 18.510
Unit cell angles	89.95, 91.78, 110.51

Refinement procedure

Resolution	18.500 - 1.500
Rwork	0.225
R-free	0.22700
Structure solution method	AB INITIO PHASING
RMSD bond length	0.012
RMSD bond angle	1.577
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXT
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	18.500	18.500	1.560
High resolution limit [Å]	1.500	5.610	1.500
Rmerge	0.157	0.141	1.159
Rmeas	0.172	0.154	1.265
Number of reflections	1426	23	139
<I/σ(I)>	4.49
Completeness [%]	97.0
Redundancy	6
CC(1/2)	0.997	0.997	0.767

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		298	hexafluoroisopropanol, water