Experiment: 2MCF

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-15N HSQC	0.5-0.8 mM [U-100% 13C; U-100% 15N] protein	90% H2O/10% D2O	0.2	6.60	ambient	305
2	3D HNCA	0.5-0.8 mM [U-100% 13C; U-100% 15N] protein	90% H2O/10% D2O	0.2	6.60	ambient	305
3	3D CBCA(CO)NH	0.5-0.8 mM [U-100% 13C; U-100% 15N] protein	90% H2O/10% D2O	0.2	6.60	ambient	305
4	3D 1H-15N NOESY	0.5-0.8 mM [U-100% 13C; U-100% 15N] protein	90% H2O/10% D2O	0.2	6.60	ambient	305
5	3D 1H-13C NOESY	0.5-0.8 mM [U-100% 13C; U-100% 15N] protein	90% H2O/10% D2O	0.2	6.60	ambient	305

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

NMR Refinement
Method	Details	Software
simulated annealing		CYANA

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	200
Conformers Submitted Total Number	15
Representative Model	1 (lowest energy)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	CYANA	2.1	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.