Experiment: 2D9S

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_15N-separated_NOESY	0.8mM UBA domain U-15N, 13C; 20mM d-Tris-HCl buffer (pH 7.0); 100mM NaCl; 1mM d-DTT; 0.02% NaN3	90% H2O/10% D2O	100mM NaCl	7.0	AMBIENT	298
2	3D_13C-separated_NOESY	0.8mM UBA domain U-15N, 13C; 20mM d-Tris-HCl buffer (pH 7.0); 100mM NaCl; 1mM d-DTT; 0.02% NaN3	90% H2O/10% D2O	100mM NaCl	7.0	AMBIENT	298
3	3D_13C_F1-filtered_F3-edited_NOESY	1.2mM UBA domain U-15N, 13C; 1.2mM UBA domain; 20mM d-Tris-HCl buffer (pH 7.0); 100mM NaCl; 1mM d-DTT; 0.02% NaN3	100% D2O	100mM NaCl	7.0	AMBIENT	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	JEOL	ECA	700
2	Bruker	AVANCE	800

NMR Refinement
Method	Details	Software
torsion angle dynamics		Delta NMR

NMR Ensemble Information
Conformer Selection Criteria	target function, structures with the lowest energy, structures with the least restraint violations
Conformers Calculated Total Number	100
Conformers Submitted Total Number	20
Representative Model	1 (lowest energy)

Additional NMR Experimental Information
Details	This structure was determined using 3D NMR techniques

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	Delta NMR	4.3	JEOL
2	collection	XwinNMR	2.6	Bruker
3	processing	NMRPipe	20031121	Delaglio, F.
4	data analysis	NMRView	5.0.4	Johnson, B. A.
5	data analysis	KUJIRA	0.9295	Kobayashi, N.
6	structure solution	CYANA	2.2.1	Guntert, P. et al.
7	refinement	OPALp	1.4	Koradi, R., Billeter, M., Guntert, P.

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.