Experiment: 5Z5Q

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-1H TOCSY	13 mM nukacin ISK-1, 34 mM [U-2H] dodecylphosphocholine, 10 mM glycine	90% H2O/10% D2O	0 mM	3.5	ambient Pa	328	Bruker AVANCE 700
2	2D 1H-1H NOESY	13 mM nukacin ISK-1, 34 mM [U-2H] dodecylphosphocholine, 10 mM glycine	90% H2O/10% D2O	0 mM	3.5	ambient Pa	328	Bruker AVANCE 700

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE	700

NMR Refinement
Method	Details	Software
simulated annealing		CYANA

NMR Ensemble Information
Conformer Selection Criteria	target function
Conformers Calculated Total Number	100
Conformers Submitted Total Number	20
Representative Model	1 (target function)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	CYANA		Guntert P.

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.