2RR2

Structure of O-fucosylated epidermal growth factor-like repeat 12 of mouse Notch-1 receptor

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D DQF-COSY	0.67mM NEUROGENIC LOCUS NOTCH HOMOLOG PROTEIN 1; 0.67mM ALPHA-L-FUCOSE; 90% H2O/10% D2O	90% H2O/10% D2O	0	5.3	ambient	300
2	2D 1H-1H NOESY	0.67mM NEUROGENIC LOCUS NOTCH HOMOLOG PROTEIN 1; 0.67mM ALPHA-L-FUCOSE; 90% H2O/10% D2O	90% H2O/10% D2O	0	5.3	ambient	300
3	2D 1H-1H TOCSY	0.67mM NEUROGENIC LOCUS NOTCH HOMOLOG PROTEIN 1; 0.67mM ALPHA-L-FUCOSE; 90% H2O/10% D2O	90% H2O/10% D2O	0	5.3	ambient	300
4	2D 1H-1H TOCSY	0.67mM NEUROGENIC LOCUS NOTCH HOMOLOG PROTEIN 1; 0.67mM ALPHA-L-FUCOSE; 100% D2O	100% D2O	0	5.3	ambient	300

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE	600

NMR Refinement
Method	Details	Software
DGSA-distance geometry simulated annealing	Sugar ring was fixed in chair conformation.	CNS

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	200
Conformers Submitted Total Number	20
Representative Model	1 (lowest energy)

Additional NMR Experimental Information
Details	The structure was determined using a combination NOE and D2O exchange experiment.

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	CNS	1.1

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.