2L04

The Solution Structure of the C-terminal Ig-like Domain of the Bacteriophage Lambda Tail Tube Protein

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-15N HSQC	50 mM sodium phosphate-1, 200 mM sodium chloride-2	90% H2O/10% D2O	.2	6.8	ambient	298
2	3D CBCA(CO)NH	50 mM sodium phosphate-1, 200 mM sodium chloride-2	90% H2O/10% D2O	.2	6.8	ambient	298
3	3D HNCACB	50 mM sodium phosphate-1, 200 mM sodium chloride-2	90% H2O/10% D2O	.2	6.8	ambient	298
4	3D HCCH-TOCSY	50 mM sodium phosphate-3, 200 mM sodium chloride-4	100% D2O	.2	6.8	ambient	298
5	3D HNCO	50 mM sodium phosphate-1, 200 mM sodium chloride-2	90% H2O/10% D2O	.2	6.8	ambient	298
6	3D C(CO)NH	50 mM sodium phosphate-1, 200 mM sodium chloride-2	90% H2O/10% D2O	.2	6.8	ambient	298
7	3D 1H-15N NOESY	50 mM sodium phosphate-1, 200 mM sodium chloride-2	90% H2O/10% D2O	.2	6.8	ambient	298
8	3D 1H-13C NOESY	50 mM sodium phosphate-3, 200 mM sodium chloride-4	100% D2O	.2	6.8	ambient	298
9	3D H(CCO)NH	50 mM sodium phosphate-1, 200 mM sodium chloride-2	90% H2O/10% D2O	.2	6.8	ambient	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	INOVA	500

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	structure solution	CYANA		Guntert, Mumenthaler and Wuthrich
2	refinement	CYANA		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.