6ZXP

Solution structure of the C-terminal domain of the vaccinia virus DNA polymerase processivity factor component A20 fused to a short peptide from the viral DNA polymerase E9.

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	15N-Trosy	1 mM [U-15N] A20-i3, 50 mM potassium phosphate, 300 mM NaCl, 1.2 mM TCEP	90% H2O/10% D2O	0.3 M	6	1 atm	298	Bruker AVANCE 950
2	13C-HSQC	0.8 mM [U-15N13C] A20-i3, 50 mM potassium phosphate, 300 mM NaCl, 1.2 mM TCEP	90% H2O/10% D2O	0.3 M	6	1 atm	298	Bruker AVANCE 950
3	2D-Tocsy	1 mM [U-15N13C] A20-i3, 50 mM potassium phosphate, 300 mM NaCl, 1.2 mM TCEP	90% H2O/10% D2O	0.3 M	6	1 atm	298	Bruker AVANCE 950
4	3D HNCO	0.8 mM [U-15N13C] A20-i3, 50 mM potassium phosphate, 300 mM NaCl, 1.2 mM TCEP	90% H2O/10% D2O	0.3 M	6	1 atm	298	Bruker AVANCE 950
5	3D HNCACB	0.8 mM [U-15N13C] A20-i3, 50 mM potassium phosphate, 300 mM NaCl, 1.2 mM TCEP	90% H2O/10% D2O	0.3 M	6	1 atm	298	Bruker AVANCE 950
11	3D HN(COCA)CB	0.8 mM [U-15N13C] A20-i3, 50 mM potassium phosphate, 300 mM NaCl, 1.2 mM TCEP	90% H2O/10% D2O	0.3 M	6	1 atm	298	Bruker AVANCE 950
10	3D HCCH-TOCSY	0.8 mM [U-15N13C] A20-i3, 50 mM potassium phosphate, 300 mM NaCl, 1.2 mM TCEP	90% H2O/10% D2O	0.3 M	6	1 atm	298	Bruker AVANCE 950
9	3D-15N-edited NOESY	1 mM [U-15N] A20-i3, 50 mM potassium phosphate, 300 mM NaCl, 1.2 mM TCEP	90% H2O/10% D2O	0.3 M	6	1 atm	298	Bruker AVANCE 950
8	3D-13C edited NOESY	0.8 mM [U-15N13C] A20-i3, 50 mM potassium phosphate, 300 mM NaCl, 1.2 mM TCEP	90% H2O/10% D2O	0.3 M	6	1 atm	298	Bruker AVANCE 950
7	3D-13C-13C methyl noesy	0.8 mM [U-15N13C] A20-i3, 50 mM potassium phosphate, 300 mM NaCl, 1.2 mM TCEP	90% H2O/10% D2O	0.3 M	6	1 atm	298	Bruker AVANCE 950
6	2D NOESY	1 mM [U-15N13C] A20-i3, 50 mM potassium phosphate, 300 mM NaCl, 1.2 mM TCEP	90% H2O/10% D2O	0.3 M	6	1 atm	298	Bruker AVANCE 950
14	15N-R1	1 mM [U-15N] A20-i3, 50 mM potassium phosphate, 300 mM NaCl, 1.2 mM TCEP	90% H2O/10% D2O	0.3 M	6	1 atm	298	Bruker AVANCE 700
13	15N-R2	1 mM [U-15N] A20-i3, 50 mM potassium phosphate, 300 mM NaCl, 1.2 mM TCEP	90% H2O/10% D2O	0.3 M	6	1 atm	298	Bruker AVANCE 700
12	15N hetNOE	1 mM [U-15N] A20-i3, 50 mM potassium phosphate, 300 mM NaCl, 1.2 mM TCEP	90% H2O/10% D2O	0.3 M	6	1 atm	298	Bruker AVANCE 700

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE	950
2	Bruker	AVANCE	700

NMR Refinement
Method	Details	Software
molecular dynamics	in explicit water	CNS

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	1000
Conformers Submitted Total Number	20
Representative Model	1 (closest to the average)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	TopSpin		Bruker Biospin
2	processing	TopSpin		Bruker Biospin
3	chemical shift assignment	CcpNmr Analysis		CCPN
4	peak picking	UNIO		Torsten Herrmann
5	structure calculation	ARIA		Linge, O'Donoghue and Nilges
6	structure calculation	CNS		Brunger, Adams, Clore, Gros, Nilges and Read

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.