8T82

Racemic mixture of amyloid beta segment 35-MVGGVV-40 forms heterochiral rippled beta-sheet, includes pentafluoropropionic acid

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)	0.979180
Spacegroup name	P 1 21/c 1
Unit cell lengths	9.560, 18.570, 20.830
Unit cell angles	90.00, 98.40, 90.00

Refinement procedure

Resolution	13.790 - 1.100
R-factor	0.1548
Rwork	0.152
R-free	0.17710
Structure solution method	AB INITIO PHASING
RMSD bond length	0.007
RMSD bond angle	1.360
Data reduction software	XDS (20220820)
Data scaling software	XSCALE (20220820)
Phasing software	SHELXD (2013/2)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	13.790	13.790	1.160
High resolution limit [Å]	1.100	3.480	1.100
Rmerge	0.099	0.079	0.234
Rmeas	0.107	0.085	0.258
Number of reflections	2485	98	155
<I/σ(I)>	10.26
Completeness [%]	82.5
Redundancy	6.5
CC(1/2)	0.991	0.988	0.977

Crystallization Conditions

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