1LVQ | pdb_00001lvq

IC3 of CB1 Bound to G(alpha)i

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D NOESY	LAKT peptide at 4.0 mM, G(alpha)i at 200 uM.	10 mM acetate buffer, pH 6.0, 1 mM DTT, TSP	10 mM acetate	6.0	1 atm	303
2	2D TOCSY	LAKT peptide at 4.0 mM, G(alpha)i at 200 uM.	10 mM acetate buffer, pH 6.0, 1 mM DTT, TSP	10 mM acetate	6.0	1 atm	303

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE	600

NMR Refinement
Method	Details	Software
metric matrix distance geometry calculations for generation of initial ensemble. Low penalty structures used for ensemble-based IRMA refinement.		DGII

NMR Ensemble Information
Conformer Selection Criteria	back calculated data agree with experimental NOESY spectrum
Conformers Calculated Total Number	20
Conformers Submitted Total Number	1

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	DGII	Homewritten	Havel
2	data analysis	Felix	MSI 95	Hare
3	iterative matrix relaxation	IRMA	2	Boelens

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 R01GM157729.