1AP4

REGULATORY DOMAIN OF HUMAN CARDIAC TROPONIN C IN THE CALCIUM-SATURATED STATE, NMR, 40 STRUCTURES

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	C13	H2O		100 mM KCL	6.7	1 atm	303
2	N15-NOESY	H2O		100 mM KCL	6.7	1 atm	303
3	HNHA	H2O		100 mM KCL	6.7	1 atm	303
4	HACAHB	H2O		100 mM KCL	6.7	1 atm	303
5	HNHB	H2O		100 mM KCL	6.7	1 atm	303
6	CBCACONNH	H2O		100 mM KCL	6.7	1 atm	303
7	HNCACB	H2O		100 mM KCL	6.7	1 atm	303
8	HCCH-TOCSY	H2O		100 mM KCL	6.7	1 atm	303

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	UNITY	500
2	Varian	UNITY INOVA	600

NMR Refinement
Method	Details	Software
simulated annealing		X-PLOR

NMR Ensemble Information
Conformer Selection Criteria	LEAST RESTRAINT VIOLATION
Conformers Calculated Total Number	43
Conformers Submitted Total Number	40
Representative Model	14 (n/a)

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

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.