2HFV

Solution NMR Structure of Protein RPA1041 from Pseudomonas aeruginosa. Northeast Structural Genomics Consortium Target PaT90.

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_15N,13C-separated NOESY	10 mM MOPS, 450 mM NaCl, ~10 uM ZnSO4, 10 mM DTT, 0.01% NaN3, 1mM benzamidine, 1x inhibitor cocktail, 90% H2O / 10% D2O	90% H2O/10% D2O	450 mM	6.5	1 atm	298
2	(4,3)D_GFT_HNNCABCA	10 mM MOPS, 450 mM NaCl, ~10 uM ZnSO4, 10 mM DTT, 0.01% NaN3, 1mM benzamidine, 1x inhibitor cocktail, 90% H2O / 10% D2O	90% H2O/10% D2O	450 mM	6.5	1 atm	298
3	(4,3)D_GFT_CABCA(CO)NHN	10 mM MOPS, 450 mM NaCl, ~10 uM ZnSO4, 10 mM DTT, 0.01% NaN3, 1mM benzamidine, 1x inhibitor cocktail, 90% H2O / 10% D2O	90% H2O/10% D2O	450 mM	6.5	1 atm	298
4	3D_HAB(CO)NH	10 mM MOPS, 450 mM NaCl, ~10 uM ZnSO4, 10 mM DTT, 0.01% NaN3, 1mM benzamidine, 1x inhibitor cocktail, 90% H2O / 10% D2O	90% H2O/10% D2O	450 mM	6.5	1 atm	298
5	(4,3)D_GFT_HCCH-COSYali	10 mM MOPS, 450 mM NaCl, ~10 uM ZnSO4, 10 mM DTT, 0.01% NaN3, 1mM benzamidine, 1x inhibitor cocktail, 90% H2O / 10% D2O	90% H2O/10% D2O	450 mM	6.5	1 atm	298
6	3D_HCCH-TOCSYali	10 mM MOPS, 450 mM NaCl, ~10 uM ZnSO4, 10 mM DTT, 0.01% NaN3, 1mM benzamidine, 1x inhibitor cocktail, 90% H2O / 10% D2O	90% H2O/10% D2O	450 mM	6.5	1 atm	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	INOVA	600
2	Varian	INOVA	750

NMR Refinement
Method	Details	Software
Refinement in explicit water bath		VNMR

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

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	VNMR	6.1C	Varian, Inc.
2	data analysis	XEASY	1.3.13	Bartels, Ch.
3	data analysis	CARA	1.5.3	Keller, R.
4	structure solution	CYANA	2.1	Guentert, P.
5	refinement	CNS	1.1	BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU,READ,RICE,SIMONSON,WARREN
6	structure solution	AutoStructure	2.0.0	Huang, Y. J.
7	processing	PROSA	6.0	Guentert, P.

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.