Experiment: 2HAJ

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_13C-separated_NOESY	0.3mM DnaG-C U-15N, 13C; 10mM phosphate buffer(pH 6.10); 100mM NaCl; 90% H2O, 10% D2O	90% H2O/10% D2O	100mM NaCl	6.10	1 atm	298
2	3D_15N-separated_NOESY	0.3mM DnaG-C U-15N, 13C; 10mM phosphate buffer(pH 6.10); 100mM NaCl; 90% H2O, 10% D2O	90% H2O/10% D2O	100mM NaCl	6.10	1 atm	298
3	(H)CCH-TOCSY	0.3mM DnaG-C U-15N, 13C; 10mM phosphate buffer(pH 6.10); 100mM NaCl; 90% H2O, 10% D2O	90% H2O/10% D2O	100mM NaCl	6.10	1 atm	298
4	CC(CO)NH	0.3mM DnaG-C U-15N, 13C; 10mM phosphate buffer(pH 6.10); 100mM NaCl; 90% H2O, 10% D2O	90% H2O/10% D2O	100mM NaCl	6.10	1 atm	298
5	2D NOESY	0.3mM DnaG-C; 10mM phosphate buffer(pH 6.10); 100mM NaCl; 90% H2O, 10% D2O	90% H2O/10% D2O	100mM NaCl	6.10	1 atm	298
6	2D TOCSY	0.3mM DnaG-C; 10mM phosphate buffer(pH 6.10); 100mM NaCl; 90% H2O, 10% D2O	90% H2O/10% D2O	100mM NaCl	6.10	1 atm	298
7	DQF-COSY	0.3mM DnaG-C; 10mM phosphate buffer(pH 6.10); 100mM NaCl; 90% H2O, 10% D2O	90% H2O/10% D2O	100mM NaCl	6.10	1 atm	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE	800

NMR Refinement
Method	Details	Software
torsion angle dynamics		CYANA

NMR Ensemble Information
Conformer Selection Criteria	structures with the least restraint violations
Conformers Calculated Total Number	200
Conformers Submitted Total Number	20
Representative Model	1 (closest to the average)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	structure solution	CYANA	2.0	Guntert, P.
2	processing	TopSpin	1.3	Bruker
3	data analysis	CARA	1.2	Keller
4	data analysis	Sparky	1.5	Goddard
5	refinement	CYANA	2.0	Guntert, 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.