2GF5

Structure of intact FADD (MORT1)

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	15N-edited NOESY	200mM phosphate buffer, 95% H2O 5% D2O	95% H2O/5% D2O	200mM phosphate	7	1 atm	288
2	13C-edited NOESY	200mM phosphate buffer, 95% H2O 5% D2O	95% H2O/5% D2O	200mM phosphate	7	1 atm	288
3	CBCA(CO)NH	200mM phosphate buffer, 95% H2O 5% D2O	95% H2O/5% D2O	200mM phosphate	7	1 atm	288
4	HNCA	200mM phosphate buffer, 95% H2O 5% D2O	95% H2O/5% D2O	200mM phosphate	7	1 atm	288
5	C(CO)NH	200mM phosphate buffer, 95% H2O 5% D2O	95% H2O/5% D2O	200mM phosphate	7	1 atm	288
6	H(CCO)NH	200mM phosphate buffer, 95% H2O 5% D2O	95% H2O/5% D2O	200mM phosphate	7	1 atm	288
7	HCCH-TOCSY	200mM phosphate buffer, 95% H2O 5% D2O	95% H2O/5% D2O	200mM phosphate	7	1 atm	288

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

NMR Refinement
Method	Details	Software
simulated annealing	water refinement	X-PLOR

NMR Ensemble Information
Conformer Selection Criteria	25 structures for lowest energy
Conformers Calculated Total Number	100
Conformers Submitted Total Number	25
Representative Model	1 (n/a)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	X-PLOR	2.12.2	Brunger et al.
2	structure solution	X-PLOR	2.12.2	Brunger et al.

RCSB PDB Core Operations are funded by the National Science Foundation (DBI-1832184), 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.