Experiment: 2MFR

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-15N HSQC	0.2-0.4 mM [U-100% 15N] protein-1	90% H2O/10% D2O	20	6.5	ambient	313
2	2D 1H-15N HSQC	0.2-0.4 mM [U-100% 13C; U-100% 15N] protein-2	90% H2O/10% D2O	20	6.5	ambient	313
3	3D HNCO	0.2-0.4 mM [U-100% 13C; U-100% 15N] protein-2	90% H2O/10% D2O	20	6.5	ambient	313
4	3D HNCA	0.2-0.4 mM [U-100% 13C; U-100% 15N] protein-2	90% H2O/10% D2O	20	6.5	ambient	313
5	3D HNCACB	0.2-0.4 mM [U-100% 13C; U-100% 15N] protein-2	90% H2O/10% D2O	20	6.5	ambient	313
6	3D CBCA(CO)NH	0.2-0.4 mM [U-100% 13C; U-100% 15N] protein-2	90% H2O/10% D2O	20	6.5	ambient	313
7	3D 1H-15N NOESY	0.2-0.4 mM [U-100% 13C; U-100% 15N] protein-2	90% H2O/10% D2O	20	6.5	ambient	313
8	3D 1H-15N NOESY	0.2-0.4 mM [U-100% 13C; U-100% 15N] protein-2	90% H2O/10% D2O	20	6.5	ambient	313
9	3D HBHA(CO)NH	0.2-0.4 mM [U-100% 13C; U-100% 15N] protein-2	90% H2O/10% D2O	20	6.5	ambient	313

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

NMR Refinement
Method	Details	Software
simulated annealing		NMRPipe

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	56
Conformers Submitted Total Number	20
Representative Model	1 (lowest energy)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	processing	NMRPipe		Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
2	data analysis	NMRView		Johnson, One Moon Scientific
3	structure solution	X-PLOR NIH		Schwieters, Kuszewski, Tjandra and Clore
4	refinement	X-PLOR NIH

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.