1NEI

Solution NMR Structure of Protein yoaG from Escherichia coli. Ontario Centre for Structural Proteomics Target EC0264_1_60; Northeast Structural Genomics Consortium Target ET94.

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_13C-separated_NOESY	1 MM ec264, U-15N, 13C; 450 mM NaCl, 25 mM Na2PO4, 1 mM Benzamidine, 1 x inhibitor cocktail, 0.01% NaN3	95% H2O/5% D2O	450 mM NaCl, 25 mM phosphate buffer	6.5	ambient	298
2	3D_15N-separated_NOESY	1 MM ec264, U-15N, 13C; 450 mM NaCl, 25 mM Na2PO4, 1 mM Benzamidine, 1 x inhibitor cocktail, 0.01% NaN3	95% H2O/5% D2O	450 mM NaCl, 25 mM phosphate buffer	6.5	ambient	298

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

NMR Refinement
Method	Details	Software
torsion angle dynamics	2609 NOE-derived distance constraints, 180 dihedral angle constraints (PHI and PSI)	CYANA

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy,target function
Conformers Calculated Total Number	100
Conformers Submitted Total Number	19
Representative Model	1 (lowest energy)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	structure solution	CYANA	1.0.5	Gunter, P.
2	refinement	CYANA	1.0.5	Gunter, P.

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.