1P1D

Structural Insights into the Inter-domain Chaperoning of Tandem PDZ Domains in Glutamate Receptor Interacting Proteins

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D NOESY	1.5mM unlabelled PDZ45; 100mM phosphate buffer	99.9% D2O	100mM potassium phosphate	7.0	1 atm	303
2	3D_15N-separated_NOESY	1.5mM uniformly 15N labelled PDZ45; 100mM phosphate buffer	90% H2O/10% D2O	100mM potassium phosphate	7.0	1 atm	303
3	3D_13C-separated_NOESY	1.5mM uniformly 15N/13C labelled PDZ45; 100mM phosphate buffer	99.9% D2O	100mM potassium phosphate	7.0	1 atm	303
4	HNCO, HNCA, HN(CO)CA, HN(CA)CB, and HN(COCA)CB	1.5mM 80% deuterated, uniformly 13C-/15N-labeled PDZ45; 100mM phosphate buffer	90% H2O/10% D2O	100mM potassium phosphate	7.0	1 atm	303
5	3D_15N-separated_NOESY	1.5mM 100% 2H, 15N-labeled PDZ45; 100mM phosphate buffer	90% H2O/10% D2O	100mM potassium phosphate	7.0	1 atm	303

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	INOVA	500
2	Varian	INOVA	750

NMR Refinement
Method	Details	Software
torsion angle dynamics		CNS

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	200
Conformers Submitted Total Number	20
Representative Model	11 (minimized average structure)

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

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.