1WIF

The solution structure of RSGI RUH-020, a PDZ domain of hypothetical protein from mouse

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_13C-separated_NOESY	1mM RSGI RUH-020 U-13C, 15N; 20mM NaOAc U-2H, 100mM NaCl, 1mM DTT U-2H, 0.02% NaN3; 90% H2O, 10% D2O	90% H2O/10% D2O	100mM NaCl	4.5	ambient	298
2	3D_15N-separated_NOESY	1mM RSGI RUH-020 U-13C, 15N; 20mM NaOAc U-2H, 100mM NaCl, 1mM DTT U-2H, 0.02% NaN3; 90% H2O, 10% D2O	90% H2O/10% D2O	100mM NaCl	4.5	ambient	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE	800

NMR Refinement
Method	Details	Software
simulated annealing, torsion angle dynamics		XwinNMR

NMR Ensemble Information
Conformer Selection Criteria	The submitted conformer models are those with the lowest number of target function
Conformers Calculated Total Number	100
Conformers Submitted Total Number	20
Representative Model	1 (lowest target function)

Additional NMR Experimental Information
Details	The structure was determined using triple-resonance NMR spectroscopy

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	XwinNMR	3.1	Bruker
2	processing	NMRPipe	2.1	Delaglio
3	data analysis	NMRView	5.0.4	Johnson
4	data analysis	KUJIRA	0.910	Kobayashi
5	structure solution	CYANA	2.0.17	GUentert
6	refinement	CYANA	2.0.17	GUentert

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.