2XEB

NMR STRUCTURE OF THE PROTEIN-UNBOUND SPLICEOSOMAL U4 SNRNA 5' STEM LOOP

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-13C HSQC	90% H2O/10% D2O, 100% D2O		120	7.6	1.0 atm	298.0
2	2D 1H-15N HSQC	90% H2O/10% D2O, 100% D2O		120	7.6	1.0 atm	298.0
3	3D HCN	90% H2O/10% D2O, 100% D2O		120	7.6	1.0 atm	298.0
4	2D 1H-13C HSQC	90% H2O/10% D2O, 100% D2O		120	7.6	1.0 atm	298.0
5	2D 1H-15N HSQC	90% H2O/10% D2O, 100% D2O		120	7.6	1.0 atm	298.0
6	2D	90% H2O/10% D2O, 100% D2O		120	7.6	1.0 atm	298.0
7	3D 13C-EDITED	90% H2O/10% D2O, 100% D2O		120	7.6	1.0 atm	298.0
8	13C- FILTERED NOESY	90% H2O/10% D2O, 100% D2O		120	7.6	1.0 atm	298.0
9	3D HCCH- COSY-TOCSY	90% H2O/10% D2O, 100% D2O		120	7.6	1.0 atm	298.0
10	3D HCCH-E.COSY	90% H2O/10% D2O, 100% D2O		120	7.6	1.0 atm	298.0
11	2D 15N HSQC	90% H2O/10% D2O, 100% D2O		120	7.6	1.0 atm	298.0
12	15N- FILTERED NOESY	90% H2O/10% D2O, 100% D2O		120	7.6	1.0 atm	278.0
13	3D HCN	90% H2O/10% D2O, 100% D2O		120	7.6	1.0 atm	278.0
14	3D-HCP	90% H2O/10% D2O, 100% D2O
15	3D-ECOSY	90% H2O/10% D2O, 100% D2O
16	2D-HNN- COSY	90% H2O/10% D2O, 100% D2O
17	2D 15N-FILTERED NOESY	90% H2O/10% D2O, 100% D2O

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	Avance	900
2	Bruker	Avance	800
3	Bruker	Avance	700
4	Bruker	Avance	600
5	Bruker	Avance	600

NMR Refinement
Method	Details	Software
RDC REFINEMENT, WATER REFINEMENT		ARIA-CNS

NMR Ensemble Information
Conformer Selection Criteria	LOWEST ENERGY STRUCTURES
Conformers Calculated Total Number	100
Conformers Submitted Total Number	10
Representative Model	1 (n/a)

Additional NMR Experimental Information
Details	NONE

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	ARIA-CNS		BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU,READ, RICE,SIMONSON,WARREN
2	structure solution	ARIA CNS 1.2	1.1

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.