1JFJ

NMR 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_15N-separated_NOESY	3mM EHCaBP, 30mM Deuterated Tris buffer, 30mM Calc2	90% H2O/10% D2O	10mM Cacl2	6.0	1 atm	308
2	HNHA	3mM EHCaBP, 30mM Deuterated Tris buffer, 30mM Calc2	90% H2O/10% D2O	10mM Cacl2	6.0	1 atm	308
3	2D NOESY	3mM EHCaBP, 30mM Deuterated Tris buffer, 30mM Cacl2	100% D2O	10mM Cacl2	6.0	1 atm	308
4	3D_13C-separated_NOESY	3mM EHCaBP, 30mM Deuterated Tris buffer, 30mM Cacl2	100% D2O	10mM Cacl2	6.0	1 atm	308

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	UNITYPLUS	600

NMR Refinement
Method	Details	Software
torsion angle dynamics	The structure is based on a total of 1265 NOE-derived distance constraints, 200 dihedral angle constraints	DYANA

NMR Ensemble Information
Conformer Selection Criteria	structures with the least restraint violations
Conformers Calculated Total Number	200
Conformers Submitted Total Number	20
Representative Model	1 (fewest violations)

Additional NMR Experimental Information
Details	The structure was determined using triple-resonance NMR spectroscopy

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	structure solution	DYANA	1.5	Guentert, Mumenthaler and Wuthrich
2	refinement	DYANA	1.5	Guentert, Mumenthaler 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.