2MGZ

Solution structure of RBFOX family ASD-1 RRM and SUP-12 RRM in ternary complex with RNA

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-15N HSQC	0.7 mM [U-99% 13C; U-99% 15N] ASD-1-1, 0.7 mM [U-99% 13C; U-99% 15N] SUP-12-2, 0.7 mM RNA-3	90% H2O/10% D2O	0.1	5-7	ambient	288
2	2D 1H-13C HSQC	0.7 mM [U-99% 13C; U-99% 15N] ASD-1-1, 0.7 mM [U-99% 13C; U-99% 15N] SUP-12-2, 0.7 mM RNA-3	90% H2O/10% D2O	0.1	5-7	ambient	288
3	2D 1H-1H TOCSY	0.7 mM [U-99% 13C; U-99% 15N] ASD-1-1, 0.7 mM [U-99% 13C; U-99% 15N] SUP-12-2, 0.7 mM RNA-3	90% H2O/10% D2O	0.1	5-7	ambient	288
4	2D 1H-1H NOESY	0.7 mM [U-99% 13C; U-99% 15N] ASD-1-1, 0.7 mM [U-99% 13C; U-99% 15N] SUP-12-2, 0.7 mM RNA-3	90% H2O/10% D2O	0.1	5-7	ambient	288
5	3D 1H-15N NOESY	0.7 mM [U-99% 13C; U-99% 15N] ASD-1-1, 0.7 mM [U-99% 13C; U-99% 15N] SUP-12-2, 0.7 mM RNA-3	90% H2O/10% D2O	0.1	5-7	ambient	288
6	3D 1H-13C NOESY	0.7 mM [U-99% 13C; U-99% 15N] ASD-1-1, 0.7 mM [U-99% 13C; U-99% 15N] SUP-12-2, 0.7 mM RNA-3	90% H2O/10% D2O	0.1	5-7	ambient	288

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE	800
2	Bruker	AVANCE	700
3	Bruker	AVANCE	600

NMR Refinement
Method	Details	Software
simulated annealing		Amber

NMR Ensemble Information
Conformer Selection Criteria	structures with the least restraint violations
Conformers Calculated Total Number	400
Conformers Submitted Total Number	20
Representative Model	1 (fewest violations)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	Amber	9	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.