2X8N

Solution NMR structure of uncharacterized protein CV0863 from Chromobacterium violaceum. NORTHEAST STRUCTURAL GENOMICS TARGET (NESG) target CvT3. OCSP target CV0863.

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	13C-NOESY-HSQC-ALIPHATIC	90% H2O/10% D2O, 10MM TRIS,300 MM NACL,10 MM ZNSO4,10 MM DTT, 1 MM BENZAMIDINE,0.01% NAN3,1X ROCHE INHIBITOR COCKTAIL, 100% 13C, 100% 15N-CV0863 1MM		300 mM	7.0	1.0 atm	298.0
2	13C-HSQC-CT-ALIPHATIC	90% H2O/10% D2O, 10MM TRIS,300 MM NACL,10 MM ZNSO4,10 MM DTT, 1 MM BENZAMIDINE,0.01% NAN3,1X ROCHE INHIBITOR COCKTAIL, 100% 13C, 100% 15N-CV0863 1MM		300 mM	7.0	1.0 atm	298.0
3	13C-HSQC-ALIPHATIC	90% H2O/10% D2O, 10MM TRIS,300 MM NACL,10 MM ZNSO4,10 MM DTT, 1 MM BENZAMIDINE,0.01% NAN3,1X ROCHE INHIBITOR COCKTAIL, 100% 13C, 100% 15N-CV0863 1MM		300 mM	7.0	1.0 atm	298.0
4	13C-HSQC-AROMATIC	90% H2O/10% D2O, 10MM TRIS,300 MM NACL,10 MM ZNSO4,10 MM DTT, 1 MM BENZAMIDINE,0.01% NAN3,1X ROCHE INHIBITOR COCKTAIL, 100% 13C, 100% 15N-CV0863 1MM		300 mM	7.0	1.0 atm	298.0
5	15N-HSQ	90% H2O/10% D2O, 10MM TRIS,300 MM NACL,10 MM ZNSO4,10 MM DTT, 1 MM BENZAMIDINE,0.01% NAN3,1X ROCHE INHIBITOR COCKTAIL, 100% 13C, 100% 15N-CV0863 1MM		300 mM	7.0	1.0 atm	298.0
6	13C-NOESY-HSQC-AROMATIC	90% H2O/10% D2O, 10MM TRIS,300 MM NACL,10 MM ZNSO4,10 MM DTT, 1 MM BENZAMIDINE,0.01% NAN3,1X ROCHE INHIBITOR COCKTAIL, 100% 13C, 100% 15N-CV0863 1MM		300 mM	7.0	1.0 atm	298.0
7	15N-NOESY-HSQC	90% H2O/10% D2O, 10MM TRIS,300 MM NACL,10 MM ZNSO4,10 MM DTT, 1 MM BENZAMIDINE,0.01% NAN3,1X ROCHE INHIBITOR COCKTAIL, 100% 13C, 100% 15N-CV0863 1MM		300 mM	7.0	1.0 atm	298.0
8	H(C)CH-TOCSY- ALIPHATIC	90% H2O/10% D2O, 10MM TRIS,300 MM NACL,10 MM ZNSO4,10 MM DTT, 1 MM BENZAMIDINE,0.01% NAN3,1X ROCHE INHIBITOR COCKTAIL, 100% 13C, 100% 15N-CV0863 1MM		300 mM	7.0	1.0 atm	298.0
9	(H)CCH-TOCSY- ALIPHATIC	90% H2O/10% D2O, 10MM TRIS,300 MM NACL,10 MM ZNSO4,10 MM DTT, 1 MM BENZAMIDINE,0.01% NAN3,1X ROCHE INHIBITOR COCKTAIL, 100% 13C, 100% 15N-CV0863 1MM		300 mM	7.0	1.0 atm	298.0
10	H(C)CH-TOCSY-AROMATIC	90% H2O/10% D2O, 10MM TRIS,300 MM NACL,10 MM ZNSO4,10 MM DTT, 1 MM BENZAMIDINE,0.01% NAN3,1X ROCHE INHIBITOR COCKTAIL, 100% 13C, 100% 15N-CV0863 1MM		300 mM	7.0	1.0 atm	298.0
11	(H)CCH-TOCSY-AROMATIC	90% H2O/10% D2O, 10MM TRIS,300 MM NACL,10 MM ZNSO4,10 MM DTT, 1 MM BENZAMIDINE,0.01% NAN3,1X ROCHE INHIBITOR COCKTAIL, 100% 13C, 100% 15N-CV0863 1MM		300 mM	7.0	1.0 atm	298.0
12	T1	90% H2O/10% D2O, 10MM TRIS,300 MM NACL,10 MM ZNSO4,10 MM DTT, 1 MM BENZAMIDINE,0.01% NAN3,1X ROCHE INHIBITOR COCKTAIL, 100% 13C, 100% 15N-CV0863 1MM		300 mM	7.0	1.0 atm	298.0
13	T1RHO	90% H2O/10% D2O, 10MM TRIS,300 MM NACL,10 MM ZNSO4,10 MM DTT, 1 MM BENZAMIDINE,0.01% NAN3,1X ROCHE INHIBITOR COCKTAIL, 100% 13C, 100% 15N-CV0863 1MM		300 mM	7.0	1.0 atm	298.0
14	HNCO	90% H2O/10% D2O, 10MM TRIS,300 MM NACL,10 MM ZNSO4,10 MM DTT, 1 MM BENZAMIDINE,0.01% NAN3,1X ROCHE INHIBITOR COCKTAIL, 100% 13C, 100% 15N-CV0863 1MM		300 mM	7.0	1.0 atm	298.0
15	HNCA	90% H2O/10% D2O, 10MM TRIS,300 MM NACL,10 MM ZNSO4,10 MM DTT, 1 MM BENZAMIDINE,0.01% NAN3,1X ROCHE INHIBITOR COCKTAIL, 100% 13C, 100% 15N-CV0863 1MM		300 mM	7.0	1.0 atm	298.0
16	CBCA(CO)NH	90% H2O/10% D2O, 10MM TRIS,300 MM NACL,10 MM ZNSO4,10 MM DTT, 1 MM BENZAMIDINE,0.01% NAN3,1X ROCHE INHIBITOR COCKTAIL, 100% 13C, 100% 15N-CV0863 1MM		300 mM	7.0	1.0 atm	298.0
17	HBHA(CBCACO)NH	90% H2O/10% D2O, 10MM TRIS,300 MM NACL,10 MM ZNSO4,10 MM DTT, 1 MM BENZAMIDINE,0.01% NAN3,1X ROCHE INHIBITOR COCKTAIL, 100% 13C, 100% 15N-CV0863 1MM		300 mM	7.0	1.0 atm	298.0
18	H(CCCO)NH-TOCSY	90% H2O/10% D2O, 10MM TRIS,300 MM NACL,10 MM ZNSO4,10 MM DTT, 1 MM BENZAMIDINE,0.01% NAN3,1X ROCHE INHIBITOR COCKTAIL, 100% 13C, 100% 15N-CV0863 1MM		300 mM	7.0	1.0 atm	298.0
19	13C-HSQC-CT-ALIPHATIC	90% H2O/10% D2O, 10MM TRIS,300 MM NACL,10 MM ZNSO4,10 MM DTT, 1 MM BENZAMIDINE,0.01% NAN3,1X ROCHE INHIBITOR COCKTAIL, 100% 13C, 100% 15N-CV0863 1MM		300 mM	7.0	1.0 atm	298.0

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

NMR Refinement
Method	Details	Software
TORSION ANGLE DYNAMICS, RESTRAINED MOLECULAR DYNAMICS	RESTRAINED MOLECULAR DYNAMICS	CNS

NMR Ensemble Information
Conformer Selection Criteria	LOWEST ENERGY
Conformers Calculated Total Number	100
Conformers Submitted Total Number	20
Representative Model	1 (n/a)

Additional NMR Experimental Information
Details	ALL 3D NMR SPECTRA WERE COLLECTED WITH NON-UNIFORM SAMPLING (WWW.NMR2.BUFFALO.EDU/NESG.WIKI/SETTING_UP_NON- UNIFORMLY_SAMPLED_SPECTRA) AND PROCESSED WITH MDDGUI AND MDDNMR SOFTWARE (WWW.NMR2.BUFFALO.EDU/NESG.WIKI/ PROCESSING_ NON-UNIFORMLY_SAMPLED_SPECTRA_WITH_MULTIDIMENSIONAL_ DECOMPOSITION

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	CNS		BRUNGER, ADAMS,CLORE,GROS,NILGES,READ
2	structure solution	NMRPipe
3	structure solution	MddNMR
4	structure solution	MDDGUI
5	structure solution	ABACUS
6	structure solution	CcpNmr Analysis	ANAYSIS
7	structure solution	CYANA
8	structure solution	CNS

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.

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2X8N

Solution NMR structure of uncharacterized protein CV0863 from Chromobacterium violaceum. NORTHEAST STRUCTURAL GENOMICS TARGET (NESG) target CvT3. OCSP target CV0863.