1UCP

NMR structure of the PYRIN domain of human ASC

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D NOESY	1mM PYRIN domain	90% H2O/10% D2O	50mM	3.7	ambient	301
2	2D TOCSY	1mM PYRIN domain	90% H2O/10% D2O	50mM	3.7	ambient	301
3	w1-decoupled NOESY	1mM PYRIN domain	90% H2O/10% D2O	50mM	3.7	ambient	301
4	DQF-COSY	1mM PYRIN domain	100% D2O	50mM	3.7	ambient	301
5	2D NOESY	1mM PYRIN domain	100% D2O	50mM	3.7	ambient	301
6	2D TOCSY	1mM PYRIN domain	100% D2O	50mM	3.7	ambient	301

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	UNITYPLUS	800

NMR Refinement
Method	Details	Software
torsion angle dynamics	1118 NOE-derived distance restraints, 206 coupling constants	DYANA

NMR Ensemble Information
Conformer Selection Criteria	structures with the least restraint violations,target function
Conformers Calculated Total Number	50
Conformers Submitted Total Number	20
Representative Model	1 (closest to the average)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	structure solution	DYANA	1.5	Guentert
2	refinement	OPAL	2.6

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.