Experiment: 6G99

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D 1H-13C NOESY aliphatic	0.8 mM [U-99% 13C; U-99% 15N] FUS-ZnF, 1.0 mM RNA (5'-R(UPGPGPUP*G)-3'), 20 mM sodium phosphate, 1 mM beta-mercaptoethanol	90% H2O/10% D2O	20 mM	6.5	AMBIENT Pa	303	Bruker AVANCE 900
2	3D 1H-15N NOESY	0.8 mM [U-99% 13C; U-99% 15N] FUS-ZnF, 1.0 mM RNA (5'-R(UPGPGPUP*G)-3'), 20 mM sodium phosphate, 1 mM beta-mercaptoethanol	90% H2O/10% D2O	20 mM	6.5	AMBIENT Pa	303	Bruker AVANCE 900
3	2D 1H-1H NOESY	1.0 mM [U-99% 13C; U-99% 15N] FUS-ZnF, 0.9 mM RNA (5'-R(UPGPGPUP*G)-3'), 20 mM sodium phosphate, 1 mM beta-mercaptoethanol	100% D2O	20 mM	6.5	AMBIENT Pa	303	Bruker AVANCE 900
4	2D 13C F2-filtered NOESY	0.8 mM [U-99% 13C; U-99% 15N] FUS-ZnF, 1.0 mM RNA (5'-R(UPGPGPUP*G)-3'), 20 mM sodium phosphate, 1 mM beta-mercaptoethanol	100% D2O	20 mM	6.5	AMBIENT Pa	303	Bruker AVANCE III 600
5	2D 1H-13C HSQC aliphatic	1.0 mM [U-99% 13C; U-99% 15N] FUS-ZnF, 0.9 mM RNA (5'-R(UPGPGPUP*G)-3'), 20 mM sodium phosphate, 1 mM beta-mercaptoethanol	100% D2O	20 mM	6.5	AMBIENT Pa	303	Bruker AVANCE III 700
6	2D 1H-13C HSQC aromatic	1.0 mM [U-99% 13C; U-99% 15N] FUS-ZnF, 0.9 mM RNA (5'-R(UPGPGPUP*G)-3'), 20 mM sodium phosphate, 1 mM beta-mercaptoethanol	100% D2O	20 mM	6.5	AMBIENT Pa	303	Bruker AVANCE III 700

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE	900
2	Bruker	AVANCE III	700
3	Bruker	AVANCE III	600

NMR Refinement
Method	Details	Software
simulated annealing		Amber

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	500
Conformers Submitted Total Number	20
Representative Model	1 (lowest energy)

Additional NMR Experimental Information
Details	NULL

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	processing	TopSpin		Bruker Biospin
2	collection	TopSpin		Bruker Biospin
3	chemical shift assignment	Sparky		Goddard
4	peak picking	CANDID		Herrmann, Guntert and Wuthrich
5	structure calculation	CYANA		Guntert, Mumenthaler and Wuthrich
6	refinement	Amber		Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman

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.