1VZS

Solution structure of subunit F6 from the peripheral stalk region of ATP synthase from bovine heart mitochondria

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	NOESY	95% H2O, 5% D2O, 50MM NACL, 20 MM PHOSPHATE			6.5	1 atm	300
2	TOCSY	95% H2O, 5% D2O, 50MM NACL, 20 MM PHOSPHATE			6.5	1 atm	300
3	HSQC	95% H2O, 5% D2O, 50MM NACL, 20 MM PHOSPHATE			6.5	1 atm	300
4	NOESY-HSQC	95% H2O, 5% D2O, 50MM NACL, 20 MM PHOSPHATE			6.5	1 atm	300
5	TOCSY-HSQC	95% H2O, 5% D2O, 50MM NACL, 20 MM PHOSPHATE			6.5	1 atm	300
6	HCCH-COSY	95% H2O, 5% D2O, 50MM NACL, 20 MM PHOSPHATE			6.5	1 atm	300
7	HNCA	95% H2O, 5% D2O, 50MM NACL, 20 MM PHOSPHATE			6.5	1 atm	300
8	CBCACONH	95% H2O, 5% D2O, 50MM NACL, 20 MM PHOSPHATE			6.5	1 atm	300

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	Avance	500
2	Bruker	DMX	600
3	Bruker	DRX	800

NMR Refinement
Method	Details	Software
simulated annealing		CNS

NMR Ensemble Information
Conformer Selection Criteria	JUMP IN TOTAL ENERGIES
Conformers Calculated Total Number	50
Conformers Submitted Total Number	34
Representative Model	1 (n/a)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	CNS		BRUNGER,ADAMS,CLORE,DELANO,GROS, GROSSE- KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,READ, RICE,SIMONSON,WARREN
2	structure solution	XWINNMR
3	structure solution	SPARKY

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.