Experiment: 2M8H

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-15N HSQC	0.3 mM [U-99% 13C; U-99% 15N] RBM7, 20 mM BISTRIS, 4 mM beta-mercaptoethanol, 200 mM sodium chloride	90% H2O/10% D2O	200	7	ambient	293.15
2	3D HBHA(CO)NH	0.3 mM [U-99% 13C; U-99% 15N] RBM7, 20 mM BISTRIS, 4 mM beta-mercaptoethanol, 200 mM sodium chloride	90% H2O/10% D2O	200	7	ambient	293.15
3	3D HNCA	0.3 mM [U-99% 13C; U-99% 15N] RBM7, 20 mM BISTRIS, 4 mM beta-mercaptoethanol, 200 mM sodium chloride	90% H2O/10% D2O	200	7	ambient	293.15
4	3D CBCA(CO)NH	0.3 mM [U-99% 13C; U-99% 15N] RBM7, 20 mM BISTRIS, 4 mM beta-mercaptoethanol, 200 mM sodium chloride	90% H2O/10% D2O	200	7	ambient	293.15
5	3D 1H-13C NOESY aliphatic	0.3 mM [U-99% 13C; U-99% 15N] RBM7, 20 mM BISTRIS, 4 mM beta-mercaptoethanol, 200 mM sodium chloride	90% H2O/10% D2O	200	7	ambient	293.15
6	3D 1H-13C NOESY aromatic	0.3 mM [U-99% 13C; U-99% 15N] RBM7, 20 mM BISTRIS, 4 mM beta-mercaptoethanol, 200 mM sodium chloride	90% H2O/10% D2O	200	7	ambient	293.15

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE	700
2	Bruker	AVANCE	950

NMR Refinement
Method	Details	Software
simulated annealing, torsion angle dynamics		CARA

NMR Ensemble Information
Conformer Selection Criteria	target function
Conformers Calculated Total Number	20
Conformers Submitted Total Number	20
Representative Model	1 (closest to the average)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	chemical shift assignment	CARA		Keller and Wuthrich
2	refinement	Amber		Case, Darden, Cheatham iii, Simmerling, Wang, duke, Luo, and Kollman
3	refinement	CYANA		Guntert, Mumenthaler and Wuthrich

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.