1ACW

SOLUTION NMR STRUCTURE OF P01, A NATURAL SCORPION PEPTIDE STRUCTURALLY ANALOGOUS TO SCORPION TOXINS SPECIFIC FOR APAMIN-SENSITIVE POTASSIUM CHANNEL, 25 STRUCTURES

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	COSY				3.		300
2	TOCSY				3.		300
3	NOESY				3.		300

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AMX500	500
2	Bruker	AMX400	500

NMR Refinement
Method	Details	Software
DISTANCE GEOMETRY AND ENERGY MINIMIZATION	THE STRUCTURES WERE CALCULATED WITH THE DISTANCE GEOMETRY SOFTWARE DIANA-1.1 AND THEN MINIMIZED USING THE POWELL ALGORITHM OF THE X-PLOR SOFTWARE.	X-PLOR

NMR Ensemble Information
Conformer Selection Criteria	OVERALL ENERGY
Conformers Calculated Total Number	25
Conformers Submitted Total Number	25

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	X-PLOR	3.1	BRUNGER
2	structure solution	DIANA
3	structure solution	XPLOR

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.