5YQ3

Solution NMR Structure and Backbone Dynamics of the Partially Disordered Arabidopsis thaliana Phloem Protein 16-1, A Putative mRNA Transporter

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-15N HSQC	100 uM [U-99% 13C; U-99% 15N] Arabidopsis thaliana phloem protein 16-1	90% H2O/10% D2O	20 mM	4.2	1 atm	298	Bruker AVANCE III 800
2	3D HNCACB	100 uM [U-99% 13C; U-99% 15N] Arabidopsis thaliana phloem protein 16-1	90% H2O/10% D2O	20 mM	4.2	1 atm	298	Bruker AVANCE III 800
3	3D CBCA(CO)NH	100 uM [U-99% 13C; U-99% 15N] Arabidopsis thaliana phloem protein 16-1	90% H2O/10% D2O	20 mM	4.2	1 atm	298	Bruker AVANCE III 800
4	3D HBHA(CO)NH	100 uM [U-99% 13C; U-99% 15N] Arabidopsis thaliana phloem protein 16-1	90% H2O/10% D2O	20 mM	4.2	1 atm	298	Bruker AVANCE III 700
5	3D 1H-15N NOESY	100 uM [U-99% 13C; U-99% 15N] Arabidopsis thaliana phloem protein 16-1	90% H2O/10% D2O	20 mM	4.2	1 atm	298	Bruker AVANCE III 700
6	3D 1H-13C NOESY aliphatic	100 uM [U-99% 13C; U-99% 15N] Arabidopsis thaliana phloem protein 16-1	90% H2O/10% D2O	20 mM	4.2	1 atm	298	Bruker AVANCE III 700
7	3D HNCO	100 uM [U-99% 13C; U-99% 15N] Arabidopsis thaliana phloem protein 16-1	90% H2O/10% D2O	20 mM	4.2	1 atm	298	Bruker AVANCE III 800
8	3D HNCA	100 uM [U-99% 13C; U-99% 15N] Arabidopsis thaliana phloem protein 16-1	90% H2O/10% D2O	20 mM	4.2	1 atm	298	Bruker AVANCE III 800
9	3D HN(CO)CA	100 uM [U-99% 13C; U-99% 15N] Arabidopsis thaliana phloem protein 16-1	90% H2O/10% D2O	20 mM	4.2	1 atm	298	Bruker AVANCE III 800

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE III	800
2	Bruker	AVANCE III	700

NMR Refinement
Method	Details	Software
simulated annealing		CYANA

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	200
Conformers Submitted Total Number	20
Representative Model	1 (lowest energy)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	CYANA		Guntert, Mumenthaler and Wuthrich
2	structure calculation	CYANA		Guntert, Mumenthaler and Wuthrich
3	chemical shift assignment	XEASY		Bartels et al.
4	peak picking	XEASY		Bartels et al.
5	collection	TopSpin		Bruker Biospin
6	processing	NMRPipe		Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
7	data analysis	Sparky		Goddard

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.