1UWD

NMR STRUCTURE OF A PROTEIN WITH UNKNOWN FUNCTION FROM THERMOTOGA MARITIMA (TM0487), WHICH BELONGS TO THE DUF59 FAMILY.

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D 15N-RESOLVED [1H	90% H2O/10% D2O, 20MM SODIUM PHOSPHATE			6.0	1 atm	313
2	1H]-NOESY	90% H2O/10% D2O, 20MM SODIUM PHOSPHATE			6.0	1 atm	313
3	3D 13C-RESOLVED [1H	90% H2O/10% D2O, 20MM SODIUM PHOSPHATE			6.0	1 atm	313
4	1H]-NOESY	90% H2O/10% D2O, 20MM SODIUM PHOSPHATE			6.0	1 atm	313

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	Avance	900

NMR Refinement
Method	Details	Software
distance geometry	THESE STRUCTURES WERE ENERGY- MINIMIZED IN A WATER SHELL USING THE AMBER FORCE FIELD. 20 LOWEST ENERGY NMR STRUCTURES. THESE STRUCTURES WERE FITTED BY MOLMOL.	OPALp

NMR Ensemble Information
Conformer Selection Criteria
Conformers Calculated Total Number	100
Conformers Submitted Total Number	20

Additional NMR Experimental Information
Details	THE SAMPLE WAS 13C AND 15N-LABELED.

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	OPALp		R.KORADI,M.BILLETER,P.GUNTERT
2	structure solution	ATNOS/C
3	structure solution	ID/DYANA

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.