1U6F | pdb_00001u6f

NMR solution structure of TcUBP1, a single RBD-unit from Trypanosoma cruzi

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_15N-separated_NOESY	1.5 mM TcUBP1 (GQ), 50 mM Tris-HCl, 50 mM NaCl, 1 mM DTT and 1 mM NaN3, 90% H2O, 10% D2O	90% H2O/10% D2O	50 mM NaCl	7.2	ambient	303
2	2D NOESY	1.5 mM TcUBP1 (GQ), 50 mM Tris-HCl, 50 mM NaCl, 1 mM DTT and 1 mM NaN3	100% D2O	50 mM NaCl	7.2	ambient	303
3	3D_13C-separated_NOESY	1.5 mM TcUBP1 (GQ), 50 mM Tris-HCl, 50 mM NaCl, 1 mM DTT and 1 mM NaN3	100% D2O	50 mM NaCl	7.2	ambient	303

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	DRX	500
2	Varian	INOVA	800

NMR Refinement
Method	Details	Software
distance geometry, simulated annealing	the structures are based on a total of 1545 restraints: 1369 are NOE-derived distance constraints, 122 are dihedral angle restraints and 54 are distance restraints from hydrogen bonds.	XwinNMR

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

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

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	XwinNMR	2.1	Bruker
2	processing	Gifa	4.0	Marc-Andr Delsuc
3	data analysis	XEASY	1.3.13	Bartels
4	refinement	TALOS	2003.027.13.05	Bax
5	structure solution	ARIA	1.1	Nilges
6	refinement	CNS	1.1	Brunger

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 R01GM157729.