Experiment: 1RWU

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_15N-separated_NOESY	2mM YbeD U-15N; 50mM phosphate buffer; 300mM NaCl; 0.1mM sodium azide	90% H2O/10% D2O	300mM NaCl	6.3	ambient	298
2	HNHA	2mM YbeD U-15N; 50mM phosphate buffer; 300mM NaCl; 0.1mM sodium azide	90% H2O/10% D2O	300mM NaCl	6.3	ambient	298
3	2D NOESY	2mM YbeD; 50mM phosphate buffer; 300mM NaCl; 0.1mM sodium azide	90% H2O/10% D2O	300mM NaCl	6.3	ambient	298
4	2D NOESY	2mM YbeD; 50mM phosphate buffer; 300mM NaCl; 0.1mM sodium azide	100% D2O	300mM NaCl	6.3	ambient	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	DRX	500

NMR Refinement
Method	Details	Software
simulated annealing	The structures are based on a total of 556 restraints, 393 are NOE-derived distance constraints, 131 TALOS-derived dihedral angle restraints, 32 distance restraints from hydrogen bonds.	XwinNMR

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	100
Conformers Submitted Total Number	15
Representative Model	1 (fewest violations)

Additional NMR Experimental Information
Details	This structure was determined using standard triple-resonance and homonuclear techniques.

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	XwinNMR	2.1	Bruker Biospin
2	processing	XwinNMR	2.1	Bruker Biospin
3	processing	Gifa	4.31	Delsuc
4	data analysis	XEASY	1.3.13	Wuthrich
5	structure solution	CYANA	1.0.6	Guentert
6	refinement	Xplor-NIH	2.9.2	Clore

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.