1OWT | pdb_00001owt

Structure of the Alzheimer's disease amyloid precursor protein copper binding domain

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_13C-separated_NOESY	0.5mM CuBD U-15N,13C; 20mM phosphate buffer	90% H2O, 10% D20	0.3	6.9	1 atm	303
2	3D_15N-separated_NOESY	0.5mM CuBD U-15N,13C; 20mM phosphate buffer	90% H2O, 10% D20	0.3	6.9	1 atm	303

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

NMR Refinement
Method	Details	Software
distance geometry and simulated annealing	1233 NOE restraints, 111 angle restraints	CNS

NMR Ensemble Information
Conformer Selection Criteria	structures with acceptable covalent geometry,structures with the lowest energy
Conformers Calculated Total Number	200
Conformers Submitted Total Number	21

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	structure solution	CNS	1.0	Brunger
2	refinement	CNS	1.0

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.