Experiment: 1IX5

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_13C-separated_NOESY	5.5mM FKBP U-15N,13C; 50mM phosphate buffer K; 90% H2O, 10% D2O	90% H2O/10% D2O	50mM phosphate buffer K	7	ambient	298
2	3D_15N-separated_NOESY	5.5mM FKBP U-15N,13C; 50mM phosphate buffer K; 90% H2O, 10% D2O	90% H2O/10% D2O	50mM phosphate buffer K	7	ambient	298
3	HNHA	5.5mM FKBP U-15N,13C; 50mM phosphate buffer K; 90% H2O, 10% D2O	90% H2O/10% D2O	50mM phosphate buffer K	7	ambient	298
4	HNHB	5.5mM FKBP U-15N,13C; 50mM phosphate buffer K; 90% H2O, 10% D2O	90% H2O/10% D2O	50mM phosphate buffer K	7	ambient	298
5	HNCOHB	5.5mM FKBP U-15N,13C; 50mM phosphate buffer K; 90% H2O, 10% D2O	90% H2O/10% D2O	50mM phosphate buffer K	7	ambient	298
6	3D_13C-separated_NOESY	5.5mM FKBP U-15N,13C; 50mM phosphate buffer K; 100% D2O	100% D2O	50mM phosphate buffer K	7	ambient	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	INOVA	750
2	Varian	INOVA	500

NMR Refinement
Method	Details	Software
torsion angle dynamics		VNMR

NMR Ensemble Information
Conformer Selection Criteria	target function
Conformers Calculated Total Number	100
Conformers Submitted Total Number	10
Representative Model	1 (closest to the average)

Additional NMR Experimental Information
Details	The structure was determined using triple-resonance NMR spectroscopy.

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	VNMR	5.3B	Varian
2	processing	NMRPipe	1.6	Delaglio
3	data analysis	Sparky	3.106	Goddard
4	structure solution	DYANA	1.5	Guentert
5	refinement	DYANA	1.5	Guentert

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.