8ANN

Structure of the amyloid-forming peptide LFIEWL from exendin-4, grown from acetonitrile / water

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU PhotonJet-R
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-13
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.54184
Spacegroup name	I 2 2 2
Unit cell lengths	9.547, 23.404, 44.050
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.670 - 1.240
R-factor	0.1784
Rwork	0.177
R-free	0.18630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	crystal structure of LYIQWL
RMSD bond length	0.014
RMSD bond angle	1.544
Data reduction software	CrysalisPro
Data scaling software	CrysalisPro
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.670	1.290
High resolution limit [Å]	1.240	1.240
Rmeas	0.115	0.904
Number of reflections	1514	94
<I/σ(I)>	9.5	1.4
Completeness [%]	96.5
Redundancy	8.26
CC(1/2)	1.000	0.977

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION, RECRYSTALLIZATION		310	Lyophilized peptide was dissolved in 0.15 - 0.5 mg/ml concentration in a solution containing 30% acetonitrile and 0.1 % TFA and incubated at 310K for several weeks.