2CP9

Solution structure of RSGI RUH-042, a UBA domain from human mitochondrial elongation factor Ts

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_15N-separated_NOESY	1.23mM RSGI RUH-042 U-13C, 15N; 20mM Tris-HCl U-2H, 100mM NaCl, 1mM DTT U-2H, 0.02% NaN3; 90% H2O, 10% D2O	90% H2O/10% D2O	100mM NaCl	7.0	ambient	298
2	3D_13C-separated_NOESY	1.23mM RSGI RUH-042 U-13C, 15N; 20mM Tris-HCl U-2H, 100mM NaCl, 1mM DTT U-2H, 0.02% NaN3; 90% H2O, 10% D2O	90% H2O/10% D2O	100mM NaCl	7.0	ambient	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	JEOL	ECA	800

NMR Refinement
Method	Details	Software
simulated anneling, torsion angle dynamics		Delta NMR

NMR Ensemble Information
Conformer Selection Criteria	target function
Conformers Calculated Total Number	100
Conformers Submitted Total Number	20
Representative Model	1 (lowest target function)

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

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	Delta NMR	4.3	JEOL
2	processing	NMRPipe	2.1	Delaglio
3	data analysis	NMRView	5.0.4	Johnson
4	data analysis	KUJIRA	0.9295	Kobayashi
5	structure solution	CYANA	2.0.17	Guntert
6	refinement	CYANA	2.0.17	Guntert

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.