Experiment: 2GAQ

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D NOESY	0.5 mM FRB U-15N	PBS 100%D2O	20 mM PBS 1 mM DTT	7.4	ambient	283
2	2D TOCSY	0.5 mM FRB U-15N	PBS 100%D2O	20 mM PBS 1 mM DTT	7.4	ambient	283
3	3D_15N-separated_NOESY	0.5 mM FRB U-15N	PBS 10% D2O 90% H2O	20 mM PBS 1 mM DTT	7.4	ambient	283
4	3D-(1H,1H,15N) -TOCSY	0.5 mM FRB U-15N	PBS 10% D2O 90% H2O	20 mM PBS 1 mM DTT	7.4	ambient	283
5	HNCA	0.6 mM FRB U-15N, U-13C	PBS 10% D2O 90% H2O	20 mM PBS 1 mM DTT	7.4	ambient	283

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

NMR Refinement
Method	Details	Software
torsion angle dynamics energy minimization		DYANA

NMR Ensemble Information
Conformer Selection Criteria	structures with the least restraint violations
Conformers Calculated Total Number	100
Conformers Submitted Total Number	19
Representative Model	1 (fewest violations)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	structure solution	DYANA	1.5	Guntert
2	refinement	GROMOS	96	Van Gunsteren

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.