7RTZ

X-ray crystallographic structure of a beta-hairpin peptide derived from amyloid beta 14-40

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	123
Detector technology	PIXEL
Collection date	2021-03-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 41 21 2
Unit cell lengths	44.327, 44.327, 64.427
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.520 - 2.100
R-factor	0.2661
Rwork	0.263
R-free	0.29340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6wxm
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.520	2.175
High resolution limit [Å]	2.100	2.100
Number of reflections	7150	393
<I/σ(I)>	21.83
Completeness [%]	99.8
Redundancy	48.6
CC(1/2)	0.998	0.795

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		296.15	0.2 M magnesium acetate tetrahydrate, 0.1 M sodium cacodylate trihydrate pH 6.5, and 30% (v/v) 2-methyl-2,4-pentanediol