1ORM

NMR FOLD OF THE OUTER MEMBRANE PROTEIN OMPX IN DHPC MICELLES

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_15N-separated_NOESY	2mM OMPX U-15N,13C,2H	300 mM DIHEXANOYL PHOSPHATIDYLCHOLINE (DHPC), 20mM PHOSPHATE BUFFER, 100mM NaCl, 95% H2O, 5% D2O	20mM SODIUM PHOSPHATE, 100mM NaCl	6.5	ambient	303
2	TROSY-TYPE TRIPLE RESONANCE EXPERIMENTS	2mM OMPX U-15N,13C,2H	300 mM DIHEXANOYL PHOSPHATIDYLCHOLINE (DHPC), 20mM PHOSPHATE BUFFER, 100mM NaCl, 95% H2O, 5% D2O	20mM SODIUM PHOSPHATE, 100mM NaCl	6.5	ambient	303

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	DRX	750

NMR Refinement
Method	Details	Software
TORSION ANGLE DYNAMICS (DYANA)		DYANA

NMR Ensemble Information
Conformer Selection Criteria	target function
Conformers Calculated Total Number	100
Conformers Submitted Total Number	20
Representative Model	1 (fewest violations)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	structure solution	DYANA	1.5	GUENTERT
2	refinement	DYANA	1.5	GUENTERT

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.