1T0G

Hypothetical protein At2g24940.1 from Arabidopsis thaliana has a cytochrome b5 like fold

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_13C-separated_NOESY	0.5 mM At2g24940.1; 50mM KCl; 10 mM KH2PO4; 0.02% (w/v) sodium azide; 90% H2O, 10% D2O	90% H2O/10% D2O		7.0	1 atm	298
2	3D_15N-separated_NOESY	0.5 mM At2g24940.1; 50mM KCl; 10 mM KH2PO4; 0.02% (w/v) sodium azide; 90% H2O, 10% D2O	90% H2O/10% D2O		7.0	1 atm	298

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

NMR Refinement
Method	Details	Software
molecular dynamics, torsion angle dynamics		XwinNMR

NMR Ensemble Information
Conformer Selection Criteria	back calculated data agree with experimental NOESY spectrum,target function
Conformers Calculated Total Number	100
Conformers Submitted Total Number	20
Representative Model	1 (closest to the average)

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

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	XwinNMR	3.2	Bruker
2	processing	NMRPipe	2.1	Delaglio et al
3	data analysis	Sparky	3.72	Goddard and Kneller
4	structure solution	CYANA	1.0.5	Gunter et al
5	refinement	XPLOR-NIH	2.9.3	Brunger et al; Schwieters et al

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.