2JNX

NMR derived solution structure of an EF-hand Calcium Binding Protein from Entamoeba Histolytica

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D 1H-13C NOESY	1.5 mM [U-100% 13C; U-100% 15N] protein, 150 mM Sodium acetate-acetic acid buffer	90% H2O/10% D2O		4.2	ambient	308
2	3D 1H-15N NOESY	1.5 mM [U-100% 15N] protein, 100 mM NaCl, 20 mM CaCl2	90% H2O/10% D2O		4.2	ambient	308
3	3D 1H-15N TOCSY	1.5 mM [U-100% 15N] protein, 100 mM NaCl, 20 mM CaCl2	90% H2O/10% D2O		4.2	ambient	308
4	2D 1H-1H NOESY	1.5 mM [U-100% 15N] protein, 100 mM NaCl, 20 mM CaCl2	90% H2O/10% D2O		4.2	ambient	308

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE	800
2	Varian	INOVA	600

NMR Refinement
Method	Details	Software
torsion angle dynamics		DYANA

NMR Ensemble Information
Conformer Selection Criteria	target function
Conformers Calculated Total Number	400
Conformers Submitted Total Number	20
Representative Model	1 (lowest target function)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	structure solution	DYANA	1.5	Guntert, Braun and Wuthrich
2	refinement	DYANA	1.5	Guntert, Braun and Wuthrich

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.