Experiment: 2MH7

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-15N HSQC	50 mM potassium phosphate, 50 mM sodium chloride, 2 mM DTT	90% H2O/10% D2O	0.1	6.8	ambient	298
2	2D 1H-13C HSQC	50 mM potassium phosphate, 50 mM sodium chloride, 2 mM DTT	90% H2O/10% D2O	0.1	6.8	ambient	298
3	3D HNCO	50 mM potassium phosphate, 50 mM sodium chloride, 2 mM DTT	90% H2O/10% D2O	0.1	6.8	ambient	298
4	3D HNCA	50 mM potassium phosphate, 50 mM sodium chloride, 2 mM DTT	90% H2O/10% D2O	0.1	6.8	ambient	298
5	3D HNCACB	50 mM potassium phosphate, 50 mM sodium chloride, 2 mM DTT	90% H2O/10% D2O	0.1	6.8	ambient	298
6	3D CBCA(CO)NH	50 mM potassium phosphate, 50 mM sodium chloride, 2 mM DTT	90% H2O/10% D2O	0.1	6.8	ambient	298
7	3D HCCH-TOCSY	50 mM potassium phosphate, 50 mM sodium chloride, 2 mM DTT	90% H2O/10% D2O	0.1	6.8	ambient	298
8	3D C(CO)NH	50 mM potassium phosphate, 50 mM sodium chloride, 2 mM DTT	90% H2O/10% D2O	0.1	6.8	ambient	298
9	3D H(CCO)NH	50 mM potassium phosphate, 50 mM sodium chloride, 2 mM DTT	90% H2O/10% D2O	0.1	6.8	ambient	298
10	3D 1H-15N NOESY	50 mM potassium phosphate, 50 mM sodium chloride, 2 mM DTT	90% H2O/10% D2O	0.1	6.8	ambient	298
11	3D 1H-13C NOESY	50 mM potassium phosphate, 50 mM sodium chloride, 2 mM DTT	90% H2O/10% D2O	0.1	6.8	ambient	298

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

NMR Refinement
Method	Details	Software
molecular dynamics		ARIA

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	100
Conformers Submitted Total Number	15
Representative Model	1 (lowest energy)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	structure solution	ARIA		Linge, O'Donoghue and Nilges
2	refinement	CNS		Brunger, Adams, Clore, Gros, Nilges and Read
3	data analysis	Sparky		Goddard
4	data analysis	ProcheckNMR		Laskowski and MacArthur
5	collection	TopSpin		Bruker Biospin

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.