2BP4

Zinc-binding domain of Alzheimer's disease amyloid beta-peptide in TFE-water (80-20) solution

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	DQF-COSY	80 % TFE-D2OH / 20 % H2O			3.0	1.0 atm	298.0
2	2D TOCSY 2D NOESY	80 % TFE-D2OH / 20 % H2O			3.0	1.0 atm	298.0
3	HSQC	80 % TFE-D2OH / 20 % H2O			3.0	1.0 atm	298.0
4	HMBC	80 % TFE-D2OH / 20 % H2O			3.0	1.0 atm	298.0

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	Avance	400
2	Bruker	DMX	600

NMR Refinement
Method	Details	Software
simulated annealing	REFINEMENT DETAILS CAN BE FOUND IN THE JRNL CITATION ABOVE	ICMD

NMR Ensemble Information
Conformer Selection Criteria	MINIMAL TARGET FUNCTION
Conformers Calculated Total Number	1000
Conformers Submitted Total Number	20
Representative Model	1 (n/a)

Additional NMR Experimental Information
Details	THIS STRUCTURE WAS DETERMINED USING STANDARD 2D HOMONUCLEAR TECHNIQUES

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	ICMD		ALEXEY K. MAZUR
2	structure solution	ICMD	2.7

RCSB PDB Core Operations are funded by the National Science Foundation (DBI-1832184), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM133198.