Experiment: 2L3C

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-15N HSQC	1 mM [U-15N] protein-1, 1 mM USL RNA-2	90% H2O/10% D2O	0	7.6	ambient	310
2	2D 1H-13C HSQC	1 mM [U-100% 13C; U-100% 15N] protein-3, 1 mM USL RNA-4	90% H2O/10% D2O	0	7.6	ambient	310
3	3D HNCA	1 mM [U-100% 13C; U-100% 15N] protein-3, 1 mM USL RNA-4	90% H2O/10% D2O	0	7.6	ambient	310
4	3D HN(CO)CA	1 mM [U-100% 13C; U-100% 15N] protein-3, 1 mM USL RNA-4	90% H2O/10% D2O	0	7.6	ambient	310
5	3D HNCACB	1 mM [U-100% 13C; U-100% 15N] protein-3, 1 mM USL RNA-4	90% H2O/10% D2O	0	7.6	ambient	310
6	2D 1H-1H TOCSY	1 mM [U-15N] protein-1, 1 mM USL RNA-2	90% H2O/10% D2O	0	7.6	ambient	310
7	3D HCCH-TOCSY	1 mM [U-100% 13C; U-100% 15N] protein-3, 1 mM USL RNA-4	90% H2O/10% D2O	0	7.6	ambient	310
8	3D 1H-15N NOESY	1 mM [U-15N] protein-1, 1 mM USL RNA-2	90% H2O/10% D2O	0	7.6	ambient	310
9	3D 1H-13C NOESY	1 mM [U-100% 13C; U-100% 15N] protein-3, 1 mM USL RNA-4	90% H2O/10% D2O	0	7.6	ambient	310
10	2D 1H-13C HSQC	1 mM [U-100% 15N] protein-9, 1 mM [U-13C; U-15N]-Gua,Ura USL RNA-10	100% D2O	0	7.6	ambient	310
11	2D 1H-13C HSQC	1 mM [U-100% 15N] protein-11, 1 mM [U-13C; U-15N]-Ade,Cyt USL RNA-12	100% D2O	0	7.6	ambient	310
12	3D 1H-13C NOESY	1 mM [U-100% 15N] protein-9, 1 mM [U-13C; U-15N]-Gua,Ura USL RNA-10	100% D2O	0	7.6	ambient	310
13	3D 1H-13C NOESY	1 mM [U-100% 15N] protein-11, 1 mM [U-13C; U-15N]-Ade,Cyt USL RNA-12	100% D2O	0	7.6	ambient	310
14	3D 1H-13C filtered-edited NOESY	1 mM [U-100% 13C; U-100% 15N] protein-7, 1 mM USL RNA-8	100% D2O	0	7.6	ambient	310

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

NMR Refinement
Method	Details	Software
simulated annealing		TopSpin

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	40
Conformers Submitted Total Number	20
Representative Model	18 (lowest energy)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	TopSpin		Bruker Biospin
2	data analysis	Sparky		Goddard
3	structure solution	CYANA		Guntert, Mumenthaler and Wuthrich
4	refinement	Amber		Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm

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.