Experiment: 6Z0G

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D-HSQC	500 uM U-2H, U-15N, U-13C TREM2-TMH	95% H2O/5% D2O	100 mM	7.0	1 atm	310	Bruker AVANCE III 600
2	3D HNCO	500 uM U-2H, U-15N, U-13C TREM2-TMH	95% H2O/5% D2O	100 mM	7.0	1 atm	310	Bruker AVANCE III 600
3	3D HNCA	500 uM U-2H, U-15N, U-13C TREM2-TMH	95% H2O/5% D2O	100 mM	7.0	1 atm	310	Bruker AVANCE III 600
4	3D HNCACB	500 uM U-2H, U-15N, U-13C TREM2-TMH	95% H2O/5% D2O	100 mM	7.0	1 atm	310	Bruker AVANCE III 600
5	3D HN(CO)CA	500 uM U-2H, U-15N, U-13C TREM2-TMH	95% H2O/5% D2O	100 mM	7.0	1 atm	310	Bruker AVANCE III 600
6	3D-15N-NOESY	500 uM U-2H, U-15N, U-13C TREM2-TMH	95% H2O/5% D2O	100 mM	7.0	1 atm	310	Bruker AVANCE III 950

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE III	600
2	Bruker	AVANCE III	950

NMR Refinement
Method	Details	Software
simulated annealing		X-PLOR NIH

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	100
Conformers Submitted Total Number	20
Representative Model	1 (lowest energy)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	TopSpin		Bruker Biospin
2	chemical shift assignment	Sparky		Goddard
3	processing	NMRPipe		Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
4	peak picking	Sparky		Goddard
5	structure calculation	X-PLOR NIH		Schwieters, Kuszewski, Tjandra and Clore
6	refinement	X-PLOR NIH		Schwieters, Kuszewski, Tjandra and Clore
7	data analysis	TALOS		Cornilescu, Delaglio and Bax

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.