1IBN | pdb_00001ibn

NMR STRUCTURE OF HEMAGGLUTININ FUSION PEPTIDE IN DPC MICELLES AT PH 5


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
1DQF-COSY2 mM peptide in the presence of 200 mM d38-DPC in 0.05% NaN3, 5 mM DTT, 20 mM d4-acetic acid, pH 595% H2O/5% D2O0.025ambient303
22D-NOESY2 mM peptide in the presence of 200 mM d38-DPC in 0.05% NaN3, 5 mM DTT, 20 mM d4-acetic acid, pH 595% H2O/5% D2O0.025ambient303
3TOCSY2 mM peptide in the presence of 200 mM d38-DPC in 0.05% NaN3, 5 mM DTT, 20 mM d4-acetic acid, pH 595% H2O/5% D2O0.025ambient303
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1VarianUNITYPLUS500
2VarianUNITYPLUS600
NMR Refinement
MethodDetailsSoftware
torsion angle dynamicsthe structures are based on a total of 408 restraints, 156 are NOE-derived distance constraints, 53 dihedral angle restraints.DYANA
NMR Ensemble Information
Conformer Selection CriteriaThe submitted conformer models are the 20 structures with the lowest energy
Conformers Calculated Total Number20
Conformers Submitted Total Number20
Representative Model1 (closest to the average)
Additional NMR Experimental Information
DetailsThis structure was determined using standard 2D homonuclear techniques.
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1structure solutionDYANA1.5Guntert
2refinementOPAL2.6Luginbulh