Experiment: 2L4A

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-15N HSQC	2 mM [U-99% 13C; U-99% 15N] Lrp DNA-binding domain, 50 mM potassium phosphate, 5 mM beta-mercaptoethanol	90% H2O/10% D2O	0.05	6.5	ambient	298
2	2D 1H-13C HSQC	2 mM [U-99% 13C; U-99% 15N] Lrp DNA-binding domain, 50 mM potassium phosphate, 5 mM beta-mercaptoethanol	90% H2O/10% D2O	0.05	6.5	ambient	298
3	3D CBCA(CO)NH	2 mM [U-99% 13C; U-99% 15N] Lrp DNA-binding domain, 50 mM potassium phosphate, 5 mM beta-mercaptoethanol	90% H2O/10% D2O	0.05	6.5	ambient	298
4	3D C(CO)NH	2 mM [U-99% 13C; U-99% 15N] Lrp DNA-binding domain, 50 mM potassium phosphate, 5 mM beta-mercaptoethanol	90% H2O/10% D2O	0.05	6.5	ambient	298
5	3D HCCH-TOCSY	2 mM [U-99% 13C; U-99% 15N] Lrp DNA-binding domain, 50 mM potassium phosphate, 5 mM beta-mercaptoethanol	90% H2O/10% D2O	0.05	6.5	ambient	298
6	3D HNCACB	2 mM [U-99% 13C; U-99% 15N] Lrp DNA-binding domain, 50 mM potassium phosphate, 5 mM beta-mercaptoethanol	90% H2O/10% D2O	0.05	6.5	ambient	298
7	4D 15N-13C edited NOESY	2 mM [U-99% 13C; U-99% 15N] Lrp DNA-binding domain, 50 mM potassium phosphate, 5 mM beta-mercaptoethanol	90% H2O/10% D2O	0.05	6.5	ambient	298
8	4D 13C-131C edited NOESY	2 mM [U-99% 13C; U-99% 15N] Lrp DNA-binding domian, 50 mM potassium phosphate, 2 mM DTT	100% D2O	0.05	6.5	ambient	298
9	2D 1H-15N HSQC	80-150 uM [U-99% 13C; U-99% 15N] Lrp DNA-biinding domain, 30 mM potassium phosphate, 2 mM beta-mercaptoethanol, 20 mM potassium chloride	90% H2O/10% D2O	0.05	6.5	ambient	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	INOVA	600

NMR Refinement
Method	Details	Software
distance geometry, simulated annealing		ANSIG

NMR Ensemble Information
Conformer Selection Criteria	minimized average structure and 25 structures with the lowest energy
Conformers Calculated Total Number	100
Conformers Submitted Total Number	26
Representative Model	1 (minimized average)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	chemical shift assignment	ANSIG	3.3	Kraulis
2	data analysis	NMRDraw		Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
3	data analysis	NMRPipe		Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
4	structure solution	X-PLOR		Brunger
5	refinement	X-PLOR		Brunger

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.