Experiment: 2LB7

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D DQF-COSY	0.5 mM protein	90% H2O/10% D2O		6.0	ambient	298
2	2D DQF-COSY	0.5 mM protein	100% D2O
3	2D 1H-1H TOCSY	0.5 mM protein	90% H2O/10% D2O		6.0	ambient	298
4	2D 1H-1H TOCSY	0.5 mM protein	100% D2O
5	2D 1H-1H NOESY	0.5 mM protein	90% H2O/10% D2O		6.0	ambient	298
6	2D 1H-1H NOESY	0.5 mM protein	100% D2O

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	Avance-1	700

NMR Refinement
Method	Details	Software
torsion angle dynamics		TopSpin

NMR Ensemble Information
Conformer Selection Criteria	target function
Conformers Calculated Total Number	200
Conformers Submitted Total Number	20
Representative Model	1 (fewest violations)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	TopSpin	2.2	BRUKER
2	processing	TopSpin	2.2	BRUKER
3	chemical shift assignment	XEASY		Bartels et al.
4	chemical shift calculation	XEASY		Bartels et al.
5	peak picking	XEASY		Bartels et al.
6	structure solution	CYANA	2.0	Guntert, Mumenthaler and Wuthrich
7	visualization	MOLMOL	2.1-2.6	Koradi, Billeter and Wuthrich
8	refinement	CYANA		Guntert, Mumenthaler and Wuthrich

RCSB PDB Core Operations are funded by the National Science Foundation (DBI-1832184), 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.