Experiment: 5UZL

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D NOESY	1 mM NA BnaDGAT1 exosite, 25 mM NA sodium chloride, 30 mM NA sodium phosphate, 0.01 % NA DSS	90% H2O/10% D2O	55 mM	6.3	1 atm	300	Varian VNMRS 700
2	2D TOCSY	1 mM NA BnaDGAT1 exosite, 25 mM NA sodium chloride, 30 mM NA sodium phosphate, 0.01 % NA DSS	90% H2O/10% D2O	55 mM	6.3	1 atm	300	Varian VNMRS 700
3	2D DQF-COSY	1 mM NA BnaDGAT1 exosite, 25 mM NA sodium chloride, 30 mM NA sodium phosphate, 0.01 % NA DSS	90% H2O/10% D2O	55 mM	6.3	1 atm	300	Varian VNMRS 700
4	2D 1H-15N HSQC	1 mM NA BnaDGAT1 exosite, 25 mM NA sodium chloride, 30 mM NA sodium phosphate, 0.01 % NA DSS	90% H2O/10% D2O	55 mM	6.3	1 atm	300	Varian VNMRS 700

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	VNMRS	700

NMR Refinement
Method	Details	Software
simulated annealing		CYANA

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	refinement	CYANA		Guntert, Mumenthaler and Wuthrich
2	structure calculation	CYANA		Guntert, Mumenthaler and Wuthrich
3	chemical shift assignment	NMRView		Johnson, One Moon Scientific
5	processing	NMRPipe		Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
4	peak picking	NMRView		Johnson, One Moon Scientific

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.