8DDH

Racemic mixture of FYF peptide reveals 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	2021-12-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	C 1 2/c 1
Unit cell lengths	22.020, 9.570, 25.840
Unit cell angles	90.00, 102.35, 90.00

Refinement procedure

Resolution	12.620 - 1.100
R-factor	0.0552
R-free	0.06760
Structure solution method	AB INITIO PHASING
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXD
Refinement software	SHELX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	12.620	12.620	1.130
High resolution limit [Å]	1.100	4.800	1.100
Rmerge	0.082	0.073	0.155
Rmeas	0.084	0.076	0.166
Number of reflections	1905	24	81
<I/σ(I)>	25.5	35.98	10.67
Completeness [%]	91.8	100	57
Redundancy	16.017	15	8.272
CC(1/2)	0.999	0.998	0.986

Crystallization Conditions

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