Experiment: 3MEF

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D PFG-[15N]HSQC			50 MILLIMOLAR SODIUM PHOSPHATE	6.0	1 atm	303
2	3D PFG-HNCO			50 MILLIMOLAR SODIUM PHOSPHATE	6.0	1 atm	303
3	3D PFG-(HA)CA(CO)NH			50 MILLIMOLAR SODIUM PHOSPHATE	6.0	1 atm	303
4	3D PFG-HA(CA)(CO)NH			50 MILLIMOLAR SODIUM PHOSPHATE	6.0	1 atm	303
5	3D PFG-HA(CA)NH			50 MILLIMOLAR SODIUM PHOSPHATE	6.0	1 atm	303
6	3D PFG-CBCANH			50 MILLIMOLAR SODIUM PHOSPHATE	6.0	1 atm	303
7	3D PFG-CBCA(CO)NH			50 MILLIMOLAR SODIUM PHOSPHATE	6.0	1 atm	303
8	3D PFG- (HA)CANH			50 MILLIMOLAR SODIUM PHOSPHATE	6.0	1 atm	303
9	3D PFG-HCCNH-TOCSY			50 MILLIMOLAR SODIUM PHOSPHATE	6.0	1 atm	303
10	3D PFG-HCC(CO)NH-TOCSY			50 MILLIMOLAR SODIUM PHOSPHATE	6.0	1 atm	303
11	2D CT PFG-[13C 2D HSQC-TOCSY			50 MILLIMOLAR SODIUM PHOSPHATE	6.0	1 atm	303
12	2D 2QF-COSY			50 MILLIMOLAR SODIUM PHOSPHATE	6.0	1 atm	303
13	2D NOESY			50 MILLIMOLAR SODIUM PHOSPHATE	6.0	1 atm	303
14	2D TOCSY			50 MILLIMOLAR SODIUM PHOSPHATE	6.0	1 atm	303
15	3D PFG-15N-EDITED NOESY			50 MILLIMOLAR SODIUM PHOSPHATE	6.0	1 atm	303
16	2D HSQC-J			50 MILLIMOLAR SODIUM PHOSPHATE	6.0	1 atm	303

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

NMR Refinement
Method	Details	Software
CONSTRAINT-VIOLATION MINIMIZATION IN DIHEDRAL ANGLE SPACE	REFINEMENT DETAILS CAN BE FOUND IN THE JRNL CITATION	DIANA

NMR Ensemble Information
Conformer Selection Criteria	LOWEST VALUE OF TARGET FUNCTION
Conformers Calculated Total Number	500
Conformers Submitted Total Number	16
Representative Model	1 (n/a)

Additional NMR Experimental Information
Details	THE STRUCTURES WERE DETERMINED USING DOUBLE- AND TRIPLE-RESONANCE NMR SPECTROSCOPY METHODS ON UNENRICHED, 15N-ENRICHED, AND 13C,15N-ENRICHED CSPA FROM E.COLI -

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	DIANA		WUTHRICH
2	structure solution	DIANA

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), 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.