1DKC

SOLUTION STRUCTURE OF PAFP-S, AN ANTIFUNGAL PEPTIDE FROM THE SEEDS OF PHYTOLACCA AMERICANA

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D NOESY	4MM PROTEIN, 0.2 MM DSS		NA	3.5	AMBIENT	300
2	DQF-COSY	4MM PROTEIN, 0.2 MM DSS		NA	3.5	AMBIENT	300
3	2D COSY	4MM PROTEIN, 0.2 MM DSS		NA	3.5	AMBIENT	300
4	2D TOCSY	4MM PROTEIN, 0.2 MM DSS		NA	3.5	AMBIENT	300
5	E-COSY	4MM PROTEIN, 0.2 MM DSS		NA	3.5	AMBIENT	300
6	2D NOESY	4MM PROTEIN, 0.2 MM DSS		NA	3.5	AMBIENT	300

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	DMX	600

NMR Refinement
Method	Details	Software
SIMULATED ANNEALING MOLECULAR DYNAMICS		UXNMR

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	30
Conformers Submitted Total Number	10
Representative Model	1 (closest to the average)

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

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	UXNMR	1.0	BRUKER
2	processing	Felix	97	BIOSYM
3	refinement	X-PLOR	3.851	BRUNGER

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), 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.