1R6R

Solution Structure of Dengue Virus Capsid Protein Reveals a New Fold


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
13D_13C-separated_NOESY0.8 mM DEN2C protein U-15N, 13C; in 90% H2O/10% D2O with 50 mM sodium phosphate and 200 mM NaCl at pH 6.0. in SHIGEMI tube90% H2O/10% D2O50 mM sodium phosphate and 200 mM NaCl6.01 atm300
23D_15N-separated_NOESY1mM or 2 mM DEN2C protein U-15N; in 90% H2O/10% D2O with 50 mM sodium phosphate and 200 mM NaCl at pH 6.0. in SHIGEMI tube90% H2O/10% D2O50 mM sodium phosphate and 200 mM NaCl6.01 atm300
33D_15N-separated_NOESY1mM or 2 mM DEN2C protein U-15N; in 90% H2O/10% D2O with 50 mM sodium phosphate and 200 mM NaCl at pH 6.0. in SHIGEMI tube90% H2O/10% D2O50 mM sodium phosphate and 200 mM NaCl6.01 atm305
4HNHA1mM or 2 mM DEN2C protein U-15N; in 90% H2O/10% D2O with 50 mM sodium phosphate and 200 mM NaCl at pH 6.0. in SHIGEMI tube90% H2O/10% D2O50 mM sodium phosphate and 200 mM NaCl6.01 atm300
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1VarianINOVA600
NMR Refinement
MethodDetailsSoftware
simulated annealingNMRPipe
NMR Ensemble Information
Conformer Selection Criteria20 arbitrarily selected from 53/54 conformers with no constraint violations larger than 0.3 angstrom or 5 degrees. model 21 is energy minimized structure averaged over the 53 models.
Conformers Calculated Total Number54
Conformers Submitted Total Number21
Representative Model21 (minimized average structure)
Additional NMR Experimental Information
DetailsThe structure was determined using triple-resonance NMR spectroscopy
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1processingNMRPipe2.2Delagio, Grzesiek, Vuister, Zhu, Pfeifer, Bax
2refinementX-PLOR3.8Brunger
3data analysisSparky3Goddard, Kneller