Experiment: 6TOB

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	CBCACONH	1.34 mM [U-13C; U-15N] Mycobacterial integration host factor (mIHF), 50 mM sodium phosphate, 100 mM sodium chloride	90% H2O/10% D2O	100 mM	7.5	1 atm	298	Bruker AVANCE III 600
2	HACACONH	1.34 mM [U-13C; U-15N] Mycobacterial integration host factor (mIHF), 50 mM sodium phosphate, 100 mM sodium chloride	90% H2O/10% D2O	100 mM	7.5	1 atm	298	Bruker AVANCE III 600
3	HACANH	1.34 mM [U-13C; U-15N] Mycobacterial integration host factor (mIHF), 50 mM sodium phosphate, 100 mM sodium chloride	90% H2O/10% D2O	100 mM	7.5	1 atm	298	Bruker AVANCE III 600
4	1H-13C 3D HSQC NOESY	1.34 mM [U-13C; U-15N] Mycobacterial integration host factor (mIHF), 50 mM sodium phosphate, 100 mM sodium chloride	90% H2O/10% D2O	100 mM	7.5	1 atm	298	Bruker AVANCE III 1000
5	1H-15N 3D HSQC NOESY	1.34 mM [U-13C; U-15N] Mycobacterial integration host factor (mIHF), 50 mM sodium phosphate, 100 mM sodium chloride	90% H2O/10% D2O	100 mM	7.5	1 atm	298	Bruker AVANCE III 1000

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE III	1000
3	Bruker	AVANCE III	600

NMR Refinement
Method	Details	Software
molecular dynamics		CNS

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	80
Conformers Submitted Total Number	20
Representative Model	1 (target function)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	CNS		Brunger A. T. et.al.
2	structure calculation	CYANA	3.98	Guntert, Mumenthaler and Wuthrich
3	chemical shift assignment	UNIO	2.9	Herrmann, T. et al.
4	peak picking	UNIO	2.9	UNIO-ATNOS module
5	data analysis	UNIO	2.9	UNIO-ATNOS/CANDID for automated NOE assignment

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.