1RYJ

Solution NMR Structure of Protein Mth1743 from Methanobacterium thermoautotrophicum. Ontario Centre for Structural Proteomics target MTH1743_1_70; Northeast Structural Genomics Consortium Target TT526.

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D 13C,15N-simultaneous NOESY	1mM mth1743, 450 mM NaCl, 25 mM Na2PO4, 1mM Benzamidine, 1xinhibitor cooktail, 0.01% NaN3, pH 6.5	95% H2O/5% D2O

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	INOVA	600
2	Varian	INOVA	500

NMR Refinement
Method	Details	Software
torsion angle dyanmics simulated annealing restrained molecular dynamic simulations	1496 NOE-derived distance constraints, 103 dihedral angle constraints, 34 hydrogen bonds	NMRPipe

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	100
Conformers Submitted Total Number	20
Representative Model	1 (lowest energy)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	processing	NMRPipe	2.1	Delaglio, F.
2	structure solution	DYANA	1.5	Gunter,P.
3	refinement	CNS	1.0

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.