1K99 | pdb_00001k99

Solution Structure of the first HMG box in human Upstream binding factor

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_13C-separated_NOESY	3mM hUBF HMG box1 U-15N,13C; 10mM NaPO4 buffer pH5.5; 90% H2O, 10%D2O	90% H2O/10% D2O	10mM	5.5	ambient	300
2	3D_15N-separated_NOESY	3mM hUBF HMG box1 U-15N,13C; 10mM NaPO4 buffer pH5.5; 90% H2O, 10%D2O	90% H2O/10% D2O	10mM	5.5	ambient	300
3	2D NOESY	3mM hUBF HMG box1 U-15N; 10mM NaPO4 buffer pH5.5; 100% D2O	100% D2O	10mM	5.5	ambient	300

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	DMX	500

NMR Refinement
Method	Details	Software
simulated annealing; torsion angle dynamics		CNS

NMR Ensemble Information
Conformer Selection Criteria	structures with the least restraint violations, structures with the lowest energy
Conformers Calculated Total Number	60
Conformers Submitted Total Number	20
Representative Model	1 (lowest energy)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	CNS	1.0	Brunger, A.T.
2	collection	XwinNMR	1.3	Bruker
3	processing	NMRPipe		Delaglio, F. et al.
4	data analysis	PIPP		Garrett, D. et al.

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.