1Q1O

Solution Structure of the PB1 Domain of Cdc24p (Long Form)

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_15N-separated_NOESY	1mM Cdc24p PB1 U-15N ,13C; 50mM potassium phosphate buffer; 150mM sodium chloride; 1mM sodium azide; 90% H2O, 10% D2O	90% H2O/10% D2O	50mM potassium phosphate buffer; 150mM sodium chloride	6.3	ambient	298
2	3D_13C-separated_NOESY	1mM Cdc24p PB1 U-15N, 13C; 50mM potassium phosphate buffer; 150mM sodium chloride; 1mM sodium azide; 100% D2O	100% D2O	50mM potassium phosphate buffer; 150mM sodium chloride	6.3	ambient	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	UNITYPLUS	600
2	Varian	INOVA	500

NMR Refinement
Method	Details	Software
simulated annealing		VNMR

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	100
Conformers Submitted Total Number	20
Representative Model	1 (lowest energy)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	VNMR
2	processing	NMRPipe
3	data analysis	Olivia
4	refinement	ARIA		J.P.Linge, S.I.O'Donoghue, M.Nilges
5	structure solution	ARIA
6	structure solution	CNS

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.