2B3I

NMR SOLUTION STRUCTURE OF PLASTOCYANIN FROM THE PHOTOSYNTHETIC PROKARYOTE, PROCHLOROTHRIX HOLLANDICA (19 STRUCTURES)

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	NOESY	90% WATER/10% D2O		20mM POTASSIUM PHOSPHATE	7.0	1 atm	298
2	TOCSY	90% WATER/10% D2O		20mM POTASSIUM PHOSPHATE	7.0	1 atm	298
3	DQF-COSY	90% WATER/10% D2O		20mM POTASSIUM PHOSPHATE	7.0	1 atm	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	DMX750	750

NMR Refinement
Method	Details	Software
torsion angle dynamics	REFINEMENT DETAILS, RESTRAINTS, AND CHEMICAL SHIFTS ARE IN THE SUBMITTED FILES AND IN THE JRNL CITATION ABOVE.	DYANA

NMR Ensemble Information
Conformer Selection Criteria	LOWEST TARGET FUNCTION
Conformers Calculated Total Number	40
Conformers Submitted Total Number	19

Additional NMR Experimental Information
Details	THE STRUCTURE WAS DETERMINED USING TWO-DIMENCIONAL NMR SPECTROSCOPY. WATER SUPPRESSION WAS ACHIEVED WITH A WATERGATE SEQ. WITH A 3-9-19 SELECTIVE INVERSION.

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	DYANA		P.GUNTERT, C.MUMENTHALER, K.WUTHRICH
2	structure solution	DYANA	1.5
3	structure solution	Felix

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.