1IXD

Solution structure of the CAP-GLY domain from human cylindromatosis tomour-suppressor CYLD

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_13C-separated_NOESY	0.8mM CAP-GLY domain U-15N,13C; 20mM phosphate buffer Na; 100MM SODIUM CHLORIDE; 1MM DITHIOTHREITOL; 90% H2O, 10% D2O	90% H2O/10% D2O	120	6.0	ambient	298
2	3D_15N-separated_NOESY	0.8mM CAP-GLY domain U-15N,13C; 20mM phosphate buffer Na; 100MM SODIUM CHLORIDE; 1MM DITHIOTHREITOL; 90% H2O, 10% D2O	90% H2O/10% D2O	120	6.0	ambient	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE	600
2	Bruker	AVANCE	800

NMR Refinement
Method	Details	Software
simulated annealing		XwinNMR

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)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	XwinNMR	2.6	Bruker
2	processing	NMRPipe	2.1	Deraglio, F.
3	data analysis	NMRView	5	Johnson, B.
4	refinement	CNS	1.1	Brunger, A.

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.