1BSN

SOLUTION STRUCTURE OF THE EPSILON SUBUNIT OF THE F1-ATPSYNTHASE FROM ESCHERICHIA COLI AND ORIENTATION OF THE SUBUNIT RELATIVE TO THE BETA SUBUNITS OF THE COMPLEX

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D NOESY-HSMQC			0.03	7.4	10000 Pa	295
2	3D TOCSY-HSMQC			0.03	7.4	10000 Pa	295
3	3D C(CO)NH			0.03	7.4	10000 Pa	295
4	3D H(CCO)NH			0.03	7.4	10000 Pa	295
5	SIMULTANEOUS 13C/ 15N RESOLVED NOESY			0.03	7.4	10000 Pa	295
6	VARIOUS 2D EXPERIMENTS			0.03	7.4	10000 Pa	295

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	GE	GN	500
2	Varian	UNITY	500

NMR Refinement
Method	Details	Software
distance geometry	simulated annealing and molecular dynamics	X-PLOR

NMR Ensemble Information
Conformer Selection Criteria
Conformers Calculated Total Number	30
Conformers Submitted Total Number	1
Representative Model	1 (n/a)

Additional NMR Experimental Information
Details	THE STRUCTURE OF THE E. COLI ATPASE EPSILON SUBUNIT WAS DETERMINED USING TRIPLE-RESONANCE NMR EXPERIMENTS WITH 15N AND 13C/15N LABELED PROTEIN.

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

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.