Experiment: 2LTF

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D HNCACB	1.1 mM [U-100% 13C; U-100% 15N] P2 gpX, 25 mM sodium phosphate, 200 mM sodium chloride, 2 mM DTT	90% H2O/10% D2O	200	6.8	ambient	298
2	3D CBCA(CO)NH	1.1 mM [U-100% 13C; U-100% 15N] P2 gpX, 25 mM sodium phosphate, 200 mM sodium chloride, 2 mM DTT	90% H2O/10% D2O	200	6.8	ambient	298
3	3D HNCO	1.1 mM [U-100% 13C; U-100% 15N] P2 gpX, 25 mM sodium phosphate, 200 mM sodium chloride, 2 mM DTT	90% H2O/10% D2O	200	6.8	ambient	298
4	2D 1H-15N HSQC	1.1 mM [U-100% 13C; U-100% 15N] P2 gpX, 25 mM sodium phosphate, 200 mM sodium chloride, 2 mM DTT	90% H2O/10% D2O	200	6.8	ambient	298
5	3D 1H-15N NOESY	1.1 mM [U-100% 13C; U-100% 15N] P2 gpX, 25 mM sodium phosphate, 200 mM sodium chloride, 2 mM DTT	90% H2O/10% D2O	200	6.8	ambient	298
6	3D H(CCO)NH	1.1 mM [U-100% 13C; U-100% 15N] P2 gpX, 25 mM sodium phosphate, 200 mM sodium chloride, 2 mM DTT	90% H2O/10% D2O	200	6.8	ambient	298
7	3D C(CO)NH	1.1 mM [U-100% 13C; U-100% 15N] P2 gpX, 25 mM sodium phosphate, 200 mM sodium chloride, 2 mM DTT	90% H2O/10% D2O	200	6.8	ambient	298
8	2D 1H-13C HSQC	1.1 mM [U-100% 13C; U-100% 15N] P2 gpX, 25 mM sodium phosphate, 200 mM sodium chloride, 2 mM DTT	90% H2O/10% D2O	200	6.8	ambient	298
9	3D 1H-13C NOESY aliphatic	1.1 mM [U-100% 13C; U-100% 15N] P2 gpX, 25 mM sodium phosphate, 200 mM sodium chloride, 2 mM DTT	100% D2O	200	6.8	ambient	298
10	2D 1H-13C HSQC aliphatic	1.1 mM [U-100% 13C; U-100% 15N] P2 gpX, 25 mM sodium phosphate, 200 mM sodium chloride, 2 mM DTT	100% D2O	200	6.8	ambient	298
11	3D 1H-13C NOESY aromatic	1.1 mM [U-100% 13C; U-100% 15N] P2 gpX, 25 mM sodium phosphate, 200 mM sodium chloride, 2 mM DTT	100% D2O	200	6.8	ambient	298
12	2D 1H-13C HSQC aromatic	1.1 mM [U-100% 13C; U-100% 15N] P2 gpX, 25 mM sodium phosphate, 200 mM sodium chloride, 2 mM DTT	100% D2O	200	6.8	ambient	298
13	3D 1H-13C NOESY aliphatic	1.1 mM [U-100% 13C; U-100% 15N] P2 gpX, 25 mM sodium phosphate, 200 mM sodium chloride, 2 mM DTT	90% H2O/10% D2O	200	6.8	ambient	298
14	3D HCCH-TOCSY	1.1 mM [U-100% 13C; U-100% 15N] P2 gpX, 25 mM sodium phosphate, 200 mM sodium chloride, 2 mM DTT	90% H2O/10% D2O	200	6.8	ambient	298

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

NMR Refinement
Method	Details	Software
distance geometry		CYANA

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

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	CYANA		Guntert P.

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.