9N35

Mixture of L-peptide FVGGVV and D-peptide mvggvv forms rippled sheets

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979330
Spacegroup name	P 1
Unit cell lengths	20.920, 11.500, 9.390
Unit cell angles	97.22, 90.77, 94.60

Refinement procedure

Resolution	11.370 - 1.100
R-factor	0.16587
Rwork	0.163
R-free	0.18823
Structure solution method	AB INITIO PHASING
RMSD bond length	0.016
RMSD bond angle	1.983
Data reduction software	XDS (VERSION Jun 30, 2024 BUILT=20240723)
Data scaling software	XSCALE (VERSION Jun 30, 2024 BUILT=20240723)
Phasing software	SHELXT (VERSION 2018/2)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	11.370	11.370	1.130
High resolution limit [Å]	1.100	4.920	1.100
Rmerge	0.130	0.091	0.618
Rmeas	0.150	0.105	0.729
Number of reflections	3263	38	182
<I/σ(I)>	6.46
Completeness [%]	92.7
Redundancy	4.2
CC(1/2)	0.986	0.994	0.628

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	3	298	hexafluoroisopropanol, water