Experiment: 1X3Q

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D TOCSY	100mM phosphate buffer, 100mM NaCl; 90% H20, 10% D20	90% H20, 10% D20		6.8	ambient	298
2	2D NOESY	100mM phosphate buffer, 100mM NaCl; 90% H20, 10% D20	90% H20, 10% D20		6.8	ambient	298
3	3D_15N-separated_NOESY	100mM phosphate buffer, 100mM NaCl; 90% H20, 10% D20	90% H20, 10% D20		6.8	ambient	298
4	HNHA	100mM phosphate buffer, 100mM NaCl; 90% H20, 10% D20	90% H20, 10% D20		6.8	ambient	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	DMX	700

NMR Refinement
Method	Details	Software
simulated annealing, torsion angle dynamics		XwinNMR

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

Additional NMR Experimental Information
Details	This structure was determined using standard 2D and 3D NMR experiments

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	processing	XwinNMR	3.5	Bruker
2	structure solution	CNS	1.1
3	refinement	CNS	1.1

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.