9GJ3

Structure of the amyloid-forming peptide LYIQNY

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU PhotonJet-R
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-07
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.54184
Spacegroup name	P 21 21 21
Unit cell lengths	4.850, 20.538, 42.326
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.160 - 1.500
R-factor	0.1014
Rwork	0.100
R-free	0.10970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.387
Data reduction software	CrysalisPro
Data scaling software	CrysalisPro
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.170	1.550
High resolution limit [Å]	1.500	1.500
Rmeas	0.120	0.432
Number of reflections	849	86
<I/σ(I)>	8.4	2.4
Completeness [%]	100.0
Redundancy	4.49
CC(1/2)	0.995	0.864

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION, RECRYSTALLIZATION		310	water (containing 0.1% TFA), 310K