2MNS

Solution NMR structure of the reovirus p15 fusion-associated small transmembrane (FAST) protein fusion-inducing lipid packing sensor (FLiPS) motif in dodecyl phosphocholine (DPC) micelles

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-1H NOESY	1 mM protein_1, 150 mM DPC, 0.5 mM DSS, 0.2 mM sodium azide, 20 mM [U-2H] sodium acetate	90% H2O/10% D2O		5	ambient	310
2	2D 1H-1H TOCSY	1 mM protein_1, 150 mM DPC, 0.5 mM DSS, 0.2 mM sodium azide, 20 mM [U-2H] sodium acetate	90% H2O/10% D2O		5	ambient	310
3	2D 1H-15N HSQC	1 mM protein_1, 150 mM DPC, 0.5 mM DSS, 0.2 mM sodium azide, 20 mM [U-2H] sodium acetate	90% H2O/10% D2O		5	ambient	310
4	2D 1H-13C HSQC	1 mM protein_1, 150 mM DPC, 0.5 mM DSS, 0.2 mM sodium azide, 20 mM [U-2H] sodium acetate	90% H2O/10% D2O		5	ambient	310

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	Avance	700

NMR Refinement
Method	Details	Software
torsion angle dynamics		X-PLOR_NIH

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	100
Conformers Submitted Total Number	50
Representative Model	1 (lowest energy)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	X-PLOR_NIH	2.34	Schwieters, Kuszewski, Tjandra and Clore
2	processing	TOPSPIN	3.1	Bruker Biospin
3	chemical shift assignment	SPARKY	3.110	Goddard
4	validation	ProcheckNMR	3.5.4	Laskowski and MacArthur
5	structure viewing	UCSF_CHIMERA	1.8	NIH
6	ensemble viewing	Molmol	2K.2	Koradi, Billeter and Wuthrich

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.