2AYA

Solution Structure of the C-Terminal 14 kDa Domain of the tau subunit from Escherichia coli DNA Polymerase III

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_15N-separated_NOESY	1.8 mM tau14 15N,13C; 5 mM phosphate buffer with 100 mM NaCl; pH 6.8; 90% H2O, 10% D2O	90% H2O/10% D2O	100 mM NaCl	6.8	1 atm	303
2	HNCACB	1.8 mM tau14 15N,13C; 5 mM phosphate buffer with 100 mM NaCl; pH 6.8; 90% H2O, 10% D2O	90% H2O/10% D2O	100 mM NaCl	6.8	1 atm	303
3	CACB(CO)NH	1.8 mM tau14 15N,13C; 5 mM phosphate buffer with 100 mM NaCl; pH 6.8; 90% H2O, 10% D2O	90% H2O/10% D2O	100 mM NaCl	6.8	1 atm	303
4	HNCO	1.8 mM tau14 15N,13C; 5 mM phosphate buffer with 100 mM NaCl; pH 6.8; 90% H2O, 10% D2O	90% H2O/10% D2O	100 mM NaCl	6.8	1 atm	303
5	HNCA	1.8 mM tau14 15N,13C; 5 mM phosphate buffer with 100 mM NaCl; pH 6.8; 90% H2O, 10% D2O	90% H2O/10% D2O	100 mM NaCl	6.8	1 atm	303
6	HN(CO)CA	1.8 mM tau14 15N,13C; 5 mM phosphate buffer with 100 mM NaCl; pH 6.8; 90% H2O, 10% D2O	90% H2O/10% D2O	100 mM NaCl	6.8	1 atm	303
7	HNHA	1.8 mM tau14 15N,13C; 5 mM phosphate buffer with 100 mM NaCl; pH 6.8; 90% H2O, 10% D2O	90% H2O/10% D2O	100 mM NaCl	6.8	1 atm	303
8	3D_13C-separated_NOESY	1.8 mM tau14 15N,13C; 5 mM phosphate buffer with 100 mM NaCl; pH 6.8; 90% H2O, 10% D2O	90% H2O/10% D2O	100 mM NaCl	6.8	1 atm	303
9	13C-HSQC	0.6 mM tau14 10% 13C; 5 mM phosphate buffer with 100 mM NaCl; pH 6.8; 90% H2O, 10% D2O	90% H2O/10% D2O	100 mM NaCl	6.8	1 atm	303
10	2D NOESY	1.8 mM tau14, 5 mM phosphate buffer with 100 mM NaCl; pH 6.8; 90% H2O, 10% D2O	90% H2O/10% D2O	100 mM NaCl	6.8	1 atm	303

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	INOVA	600
2	Bruker	AVANCE	800

NMR Refinement
Method	Details	Software
torsion angle dynamics	The structures are based on a total of 1891 NOE-derived distance constraints and 241 dihedral angle restraints.	TopSpin

NMR Ensemble Information
Conformer Selection Criteria	The submitted conformer models are the 20 structures with the lowest energy violations
Conformers Calculated Total Number	200
Conformers Submitted Total Number	20
Representative Model	1 (the structure closest to the average)

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

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	processing	TopSpin	1.3	Bruker
2	structure solution	DYANA	1.5	Guentert
3	processing	PROSA	6.1	Guentert
4	refinement	OPAL	2.6	Luginbuehl
5	data analysis	CARA	1.2	Damberger

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.