8DDF

Quasi-racemic mixture of L-FWF and D-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	2022-03-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	9.660, 26.260, 11.630
Unit cell angles	90.00, 95.12, 90.00

Refinement procedure

Resolution	13.130 - 1.100
R-factor	0.0952
Rwork	0.091
R-free	0.12740
Structure solution method	AB INITIO PHASING
RMSD bond length	0.017
RMSD bond angle	2.756
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXD
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	13.130	1.130
High resolution limit [Å]	1.100	1.100
Rmerge	0.076	0.255
Number of reflections	2232	308
<I/σ(I)>	13	3.6
Completeness [%]	93.8	66.1
Redundancy	5.9	2.7
CC(1/2)		0.943

Crystallization Conditions

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