1KWE

SOLUTION STRUCTURE OF THE CENTRAL CONSERVED REGION OF HUMAN RESPIRATORY SYNCYTIAL VIRUS ATTACHMENT GLYCOPROTEIN G


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
12D TOCSY1 mM G4a(1-4/2-3), 90% H2O, 10% D2O90% H2O/10% D2O4.6ambiant285
22D NOESY1 mM G4a(1-4/2-3), 90% H2O, 10% D2O90% H2O/10% D2O4.6ambiant285
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerDMX500
NMR Refinement
MethodDetailsSoftware
simulated annealing coupled with restrained molecular dynamics.The structures are based on 76 NOE-derived distance restrains and 5 dihedral angle restrains.Felix
NMR Ensemble Information
Conformer Selection Criteriastructures with acceptable covalent geometry
Conformers Calculated Total Number100
Conformers Submitted Total Number11
Representative Model2 (lowest energy)
Additional NMR Experimental Information
DetailsThis structure was determined using standard 2D homonuclear techniques.
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1data analysisFelix98MSI
2refinementDiscover98MSI
3structure solutionDiscover98MSI
4processingXwinNMR2.5Bruker
5collectionXwinNMR2.5Bruker