1J7Q

Solution structure and backbone dynamics of the defunct EF-hand domain of Calcium Vector Protein

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D NOESY	1.5 mM N-CaVP unlabeled, 20 mM Deuterated Tris buffer, 100 mM KCl	8% D20	100 mM KCL	6.5	ambient	298
2	3D_15N-separated_NOESY	1.5 mM N-CaVP uniformly 15N labeled, 20 mM Deuterated Tris buffer, 100 mM KCl	8% D20	100 mM KCL	6.5	ambient	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	UNITY	500

NMR Refinement
Method	Details	Software
distance geometry simulated annealing	the structures are based on 844 distance contraints, 104 dihedral constraints and 62 hydrogen bonds.	Felix

NMR Ensemble Information
Conformer Selection Criteria	structures with acceptable covalent geometry,structures with the least restraint violations,structures with the lowest energy
Conformers Calculated Total Number	97
Conformers Submitted Total Number	31

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	processing	Felix	97.0	MSI
2	collection	Felix	97.0	MSI
3	data analysis	Felix	97.0	MSI
4	structure solution	DGII		MSI
5	refinement	Discover		MSI

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.