Experiment: 2LBZ

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-13C HSQC aliphatic	1 mM [U-100% 13C; U-100% 15N] protein, 100 uM DSS-2	CD3OH	0	7	ambient	298
2	2D 1H-13C HSQC	1 mM [U-100% 13C; U-100% 15N] protein, 100 uM DSS-2	CD3OH	0	7	ambient	298
3	2D 1H-15N HSQC	1 mM [U-100% 13C; U-100% 15N] protein, 100 uM DSS-2	CD3OH	0	7	ambient	298
4	3D HNHA	1 mM [U-100% 13C; U-100% 15N] protein, 100 uM DSS-2	CD3OH	0	7	ambient	298
5	3D CBCA(CO)NH	1 mM [U-100% 13C; U-100% 15N] protein, 100 uM DSS-2	CD3OH	0	7	ambient	298
6	3D HCCH-TOCSY	1 mM [U-100% 13C; U-100% 15N] protein, 100 uM DSS-2	CD3OH	0	7	ambient	298
7	3D HNCO	1 mM [U-100% 13C; U-100% 15N] protein, 100 uM DSS-2	CD3OH	0	7	ambient	298
8	rtm-HNCA	1 mM [U-100% 13C; U-100% 15N] protein, 100 uM DSS-2	CD3OH	0	7	ambient	298
9	3D HNCACB	1 mM [U-100% 13C; U-100% 15N] protein, 100 uM DSS-2	CD3OH	0	7	ambient	298
10	3D 1H-13C NOESY	1 mM [U-100% 13C; U-100% 15N] protein, 100 uM DSS-2	CD3OH	0	7	ambient	298
11	3D 1H-15N NOESY	1 mM [U-100% 13C; U-100% 15N] protein, 100 uM DSS-2	CD3OH	0	7	ambient	298
12	3D 1H-15N TOCSY	1 mM [U-100% 13C; U-100% 15N] protein, 100 uM DSS-2	CD3OH	0	7	ambient	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	INOVA	800
2	Varian	INOVA	500

NMR Refinement
Method	Details	Software
torsion angle dynamics		CYANA

NMR Ensemble Information
Conformer Selection Criteria	all calculated structures submitted
Conformers Calculated Total Number	20
Conformers Submitted Total Number	20
Representative Model	1 (lowest energy)

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.