Experiment: 2LGZ

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D HBHA(CO)NH	600 uM [U-13C; U-15N; U-2H] protein, 100 mM [U-100% 2H] SDS	[U-100% 2H] SDS		6.5	ambient	328
2	3D 1H-15N TOCSY	600 uM [U-13C; U-15N; U-2H] protein, 100 mM [U-100% 2H] SDS	[U-100% 2H] SDS		6.5	ambient	328
3	3D 1H-15N NOESY	600 uM [U-13C; U-15N; U-2H] protein, 100 mM [U-100% 2H] SDS	[U-100% 2H] SDS		6.5	ambient	328
4	3D HCCH-TOCSY	600 uM [U-13C; U-15N; U-2H] protein, 100 mM [U-100% 2H] SDS	[U-100% 2H] SDS		6.5	ambient	328
5	3D HNHA	600 uM [U-13C; U-15N; U-2H] protein, 100 mM [U-100% 2H] SDS	[U-100% 2H] SDS		6.5	ambient	328
6	3D H(CCO)NH	600 uM [U-13C; U-15N; U-2H] protein, 100 mM [U-100% 2H] SDS	[U-100% 2H] SDS		6.5	ambient	328

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE	600
2	Varian	INOVA	900

NMR Refinement
Method	Details	Software
torsion angle dynamics		CYANA

NMR Ensemble Information
Conformer Selection Criteria	target function
Conformers Calculated Total Number	100
Conformers Submitted Total Number	10
Representative Model	1 (lowest energy)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	CYANA	3.0	Guntert, Mumenthaler and Wuthrich

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.