Experiment: 2ERR

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D NOESY	1mM Fox-1 15N; 1mM UGCAUGU; 20mM sodium phoshphate; 30mM NaCl	90% H2O/10% D2O		6.5	1 atm	313
2	3D_13C-separated_NOESY	1mM Fox-1 15N, 13C; 1mM UGCAUGU; 20mM sodium phoshphate; 30mM NaCl	100% D2O		6.5	1 atm	313
3	3D_15N-separated_NOESY	1mM Fox-1 15N; 1mM UGCAUGU; 20mM sodium phoshphate; 30mM NaCl	90% H2O/10% D2O		6.5	1 atm	313
4	HNCA	1mM Fox-1 15N, 13C; 1mM UGUAUGU; 20mM sodium phoshphate; 30mM NaCl	90% H2O/10% D2O		6.5	1 atm	313
5	CBCACONH	1mM Fox-1 15N, 13C; 1mM UGUAUGU; 20mM sodium phoshphate; 30mM NaCl	90% H2O/10% D2O		6.5	1 atm	313
6	HNCOCA	1mM Fox-1 15N, 13C; 1mM UGUAUGU; 20mM sodium phoshphate; 30mM NaCl	90% H2O/10% D2O		6.5	1 atm	313
7	HCCH-TOCSY	1mM Fox-1 15N, 13C; 1mM UGCAUGU; 20mM sodium phoshphate; 30mM NaCl	100% D2O		6.5	1 atm	313
8	2D F1,F2-edited NOESY	1mM Fox-1 15N; 1mM UGCAUGU, sugars of U1, C3, U5 13C; 20mM sodium phoshphate; 30mM NaCl	100% D2O		6.5	1 atm	313
9	2D F1-edited, F2-fitered NOESY	1mM Fox-1 15N; 1mM UGCAUGU, sugars of U1, C3, U5 13C; 20mM sodium phoshphate; 30mM NaCl	100% D2O		6.5	1 atm	313
10	2D F1-edited, F2-fitered NOESY	1mM Fox-1 15N; 1mM UGCAUGU, sugars of G2, A4, G6, U7 13C; 20mM sodium phoshphate; 30mM NaCl	100% D2O		6.5	1 atm	313

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	DRX	500
2	Bruker	DRX	600
3	Bruker	AVANCE	900

NMR Refinement
Method	Details	Software
torsion angle dynamics	The structures are based on a total of 1460 NOE-derived distance constraints, 29 hydrogen bond constraints and 6 torsion angle constraints. 149 and 119 of the NOE constraints are intermolecular and intra-RNA, respectively.	CYANA

NMR Ensemble Information
Conformer Selection Criteria	all calculated structures submitted
Conformers Calculated Total Number	30
Conformers Submitted Total Number	30
Representative Model	1 (closest to the average)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	structure solution	CYANA	2.0	Peter Guentert
2	refinement	Amber	7.0	David A. Case

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.