Experiment: 2RSG

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-15N HSQC	0.2 mM [U-98% 15N] CERT-1, 10 mM HEPES-2, 100 mM sodium chloride-3, 5 mM DTT-4	93% H2O/7% D2O		7.20	ambient	298
2	3D HNCACB	0.2 mM [U-98% 13C; U-98% 15N] CERT-5, 10 mM HEPES-6, 100 mM sodium chloride-7, 5 mM DTT-8	93% H2O/7% D2O		7.20	ambient	298
3	3D CBCA(CO)NH	0.2 mM [U-98% 13C; U-98% 15N] CERT-5, 10 mM HEPES-6, 100 mM sodium chloride-7, 5 mM DTT-8	93% H2O/7% D2O		7.20	ambient	298
4	3D HNCO	0.2 mM [U-98% 13C; U-98% 15N] CERT-5, 10 mM HEPES-6, 100 mM sodium chloride-7, 5 mM DTT-8	93% H2O/7% D2O		7.20	ambient	298
5	3D HN(CO)CA	0.2 mM [U-98% 13C; U-98% 15N] CERT-5, 10 mM HEPES-6, 100 mM sodium chloride-7, 5 mM DTT-8	93% H2O/7% D2O		7.20	ambient	298
6	3D 1H-15N NOESY	0.2 mM [U-98% 15N] CERT-1, 10 mM HEPES-2, 100 mM sodium chloride-3, 5 mM DTT-4	93% H2O/7% D2O		7.20	ambient	298
7	4D 13C 15N NOESY	0.2 mM [U-98% 13C; U-98% 15N] CERT-5, 10 mM HEPES-6, 100 mM sodium chloride-7, 5 mM DTT-8	93% H2O/7% D2O		7.20	ambient	298
8	3D HCCH-TOCSY	0.2 mM [U-98% 13C; U-98% 15N] CERT-5, 10 mM HEPES-6, 100 mM sodium chloride-7, 5 mM DTT-8	93% H2O/7% D2O		7.20	ambient	298
9	2D 1H-13C HSQC	0.2 mM [U-98% 13C; U-98% 15N] CERT-5, 10 mM HEPES-6, 100 mM sodium chloride-7, 5 mM DTT-8	93% H2O/7% D2O		7.20	ambient	298
10	3D 1H-13C NOESY	0.2 mM [U-98% 13C; U-98% 15N] CERT-5, 10 mM HEPES-6, 100 mM sodium chloride-7, 5 mM DTT-8	93% H2O/7% D2O		7.20	ambient	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE	800

NMR Refinement
Method	Details	Software
distance geometry		CYANA

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	200
Conformers Submitted Total Number	20
Representative Model	1 (closest to the average)

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

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.