2HQR

Structure of a Atypical Orphan Response Regulator Protein Revealed a New Phosphorylation-Independent Regulatory Mechanism

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_13C-separated_NOESY	50mM KH2PO4; 300mM KCl; 2mM DTT; 90% H2O, 10% D2O	90% H2O/10% D2O	300	7.23	ambient	303
2	3D_15N-separated_NOESY	50mM KH2PO4; 300mM KCl; 2mM DTT; 90% H2O, 10% D2O	90% H2O/10% D2O	300	7.23	ambient	303

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	DRX	500
2	Bruker	DRX	600
3	Bruker	DRX	800

NMR Refinement
Method	Details	Software
torsion angle dynamics		CYANA

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

Additional NMR Experimental Information
Details	This structure was determined using 3D heteronuclear techniques.

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	structure solution	CYANA	2.1	Guentert, P.
2	processing	NMRPipe	2.4	Delaglio et al.
3	data analysis	Sparky	3.112	Goddard and Kneller
4	refinement	CYANA	2.1	Guentert, P.

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.