1JRM | pdb_00001jrm

NMR structure of MTH0637. Ontario Centre for Structural Proteomics target MTH0637_1_104; Northeast Structural Genomics Target TT135

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	HNCACB	1mM MTH0637 U-15N,13C; 25mM phosphate buffer, 450 mM NaCl, 10 mM DTT, 20 uM Zn2+, 1 mM benzamidine, pH 6.5	90% H2O/10% D2O	450	6.5	ambient	298
2	CBCA(CO)NH	1mM MTH0637 U-15N,13C; 25mM phosphate buffer, 450 mM NaCl, 10 mM DTT, 20 uM Zn2+, 1 mM benzamidine, pH 6.5	90% H2O/10% D2O	450	6.5	ambient	298
3	CCC-TOCSY-NNH	1mM MTH0637 U-15N,13C; 25mM phosphate buffer, 450 mM NaCl, 10 mM DTT, 20 uM Zn2+, 1 mM benzamidine, pH 6.5	90% H2O/10% D2O	450	6.5	ambient	298
4	HCCH-TOCSY	1mM MTH0637 U-15N,13C; 25mM phosphate buffer, 450 mM NaCl, 10 mM DTT, 20 uM Zn2+, 1 mM benzamidine, pH 6.5	90% H2O/10% D2O	450	6.5	ambient	298
5	3D_13C-separated_NOESY	1mM MTH0637 U-15N,13C; 25mM phosphate buffer, 450 mM NaCl, 10 mM DTT, 20 uM Zn2+, 1 mM benzamidine, pH 6.5	90% H2O/10% D2O	450	6.5	ambient	298
6	3D_15N-separated_NOESY	1mM MTH0637 U-15N,13C; 25mM phosphate buffer, 450 mM NaCl, 10 mM DTT, 20 uM Zn2+, 1 mM benzamidine, pH 6.5	90% H2O/10% D2O	450	6.5	ambient	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	INOVA	600

NMR Refinement
Method	Details	Software
torsion angle dynamics		NMRPipe

NMR Ensemble Information
Conformer Selection Criteria	target function
Conformers Calculated Total Number	20
Conformers Submitted Total Number	1
Representative Model	1 (lowest energy)

Additional NMR Experimental Information
Details	The structure was determined using triple-resonance NMR spectroscopy.

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	processing	NMRPipe	ver 1.8, 2001.030.21.27	Delaglio
2	structure solution	DYANA	ver 1.5	Guentert
3	refinement	DYANA	VER 1.5	GUENTERT

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 R01GM157729.