2BBL

NMR structures of the peptide linked to the genome (VPg) of poliovirus in a stabilizing solvent


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
12D TOCSYVPg 2.78 mM, 0.01 M sodium phosphate buffer, pH 7.2, 4M deuterated Trimethylamine oxide, 10% D2O10%D2O10mM sodium phosphate7.2atmospheric atm283
22D NOESYVPg 2.78 mM, 0.01 M sodium phosphate buffer, pH 7.2, 4M deuterated Trimethylamine oxide, 10% D2O10%D2O10mM sodium phosphate7.2atmospheric atm283
3DQF-COSYVPg 2.78 mM, 0.01 M sodium phosphate buffer, pH 7.2, 4M deuterated Trimethylamine oxide, 10% D2O10%D2O10mM sodium phosphate7.2atmospheric atm283
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1VarianUNITYPLUS750
2VarianUNITYPLUS600
NMR Refinement
MethodDetailsSoftware
automatic NOE assignment in combination with distance geometryRefinement of the NOE assignment is performed iteratively. NOAH passes geometrical constraints derived from the NOE list to DIAMOD. DIAMOD calculates a bundle of structures with least violation of the constraints. The new bundle of structures is the basis for refinement of the assignments in NOAH.NOAH
NMR Ensemble Information
Conformer Selection Criteriatarget function
Conformers Calculated Total Number50
Conformers Submitted Total Number10
Representative Model1 (fewest violations)
Additional NMR Experimental Information
DetailsSpectra were collected at 283K
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1structure solutionNOAH2.0Mumenthaler, C. et al
2structure solutionDIAMOD2.2Guentert, P. et al
3data analysisFelix
4refinementDIAMOD2.2Guentert, P. et al