8T86

Racemic mixture of amylin segment 25-AILSS-29 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	2022-12-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P -1
Unit cell lengths	9.500, 9.880, 16.290
Unit cell angles	90.45, 98.13, 94.38

Refinement procedure

Resolution	16.123 - 1.102
Rwork	0.152
R-free	0.17930
Structure solution method	AB INITIO PHASING
RMSD bond length	0.005
RMSD bond angle	0.754
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXD
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	16.123	16.123	1.160
High resolution limit [Å]	1.100	3.480	1.100
Rmerge	0.142	0.112	0.955
Rmeas	0.159	0.124	1.067
Number of reflections	1898	74	101
<I/σ(I)>	4.86
Completeness [%]	80.3
Redundancy	5.1
CC(1/2)	0.992	0.992	0.651

Crystallization Conditions

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