Experiment: 2LM9

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-15N HSQC	0.8 mM sodium phosphate-1	95% H2O/5% D2O		7	ambient	298
2	2D DQF-COSY	0.8 mM sodium phosphate-1	95% H2O/5% D2O		7	ambient	298
3	3D HNCACB	0.8 mM sodium phosphate-1	95% H2O/5% D2O		7	ambient	298
4	3D CBCA(CO)NH	0.8 mM sodium phosphate-1	95% H2O/5% D2O		7	ambient	298
5	3D C(CO)NH	0.8 mM sodium phosphate-1	95% H2O/5% D2O		7	ambient	298
6	3D H(CCO)NH	0.8 mM sodium phosphate-1	95% H2O/5% D2O		7	ambient	298
7	2D 1H-1H TOCSY	0.8 mM sodium phosphate-1	95% H2O/5% D2O		7	ambient	298
8	2D 1H-1H NOESY	0.8 mM sodium phosphate-1	95% H2O/5% D2O		7	ambient	298
9	3D 1H-15N NOESY	0.8 mM sodium phosphate-1	95% H2O/5% D2O		7	ambient	298
10	3D 1H-13C NOESY	0.8 mM sodium phosphate-1	95% H2O/5% D2O		7	ambient	298

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

NMR Refinement
Method	Details	Software
simulated annealing		Sparky

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	100
Conformers Submitted Total Number	20
Representative Model	1 (minimized average structure)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	chemical shift assignment	Sparky		Goddard
2	refinement	CNS		BRUNGER, ADAMS, CLORE, GROS, NILGES AND READ

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.