2KX4

Solution structure of Bacteriophage Lambda gpFII

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-15N HSQC	1.5 mM [U-100% 13C; U-100% 15N] gpFII	90% H2O/10% D2O	0.15	7.0	ambient	298
2	3D CBCA(CO)NH	1.5 mM [U-100% 13C; U-100% 15N] gpFII	90% H2O/10% D2O	0.15	7.0	ambient	298
3	3D HNCACB	1.5 mM [U-100% 13C; U-100% 15N] gpFII	90% H2O/10% D2O	0.15	7.0	ambient	298
4	3D HCCH-TOCSY	1.5 mM [U-100% 13C; U-100% 15N] gpFII	90% H2O/10% D2O	0.15	7.0	ambient	298
5	3D 1H-15N NOESY	1.5 mM [U-100% 13C; U-100% 15N] gpFII	90% H2O/10% D2O	0.15	7.0	ambient	298
6	3D 1H-13C NOESY	1.5 mM [U-100% 13C; U-100% 15N] gpFII	90% H2O/10% D2O	0.15	7.0	ambient	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	INOVA	500
2	Varian	INOVA	600

NMR Refinement
Method	Details	Software
DGSA-distance geometry simulated annealing		CYANA

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	20
Conformers Submitted Total Number	10
Representative Model	1 (closest to the average)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	structure solution	CYANA	2.1	Guntert, Mumenthaler and Wuthrich
2	refinement	CYANA	2.1	Guntert, Mumenthaler and Wuthrich

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.