SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
13D_15N-separated_NOESY1mM rp4479, U-15N,13C: 450 mM NaCl, 25 mM Na2PO4, 1mM Benzamidine, 1xinhibitor cooktail, 0.01% NAN3, 95% H2O, 5% D2O95% H2O/5% D2O450 mM NaCl, 25 mM Phosphate buffer6.5ambinet298
23D_13C-separated_NOESY1mM rp4479, U-15N,13C: 450 mM NaCl, 25 mM Na2PO4, 1mM Benzamidine, 1xinhibitor cooktail, 0.01% NAN3, 95% H2O, 5% D2O95% H2O/5% D2O450 mM NaCl, 25 mM Phosphate buffer6.5ambinet298
34D_13C-separated_NOESY1mM rp4479, U-15N,13C: 450 mM NaCl, 25 mM Na2PO4, 1mM Benzamidine, 1xinhibitor cooktail, 0.01% NAN3, 95% H2O, 5% D2O95% H2O/5% D2O450 mM NaCl, 25 mM Phosphate buffer6.5ambinet298
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1VarianINOVA600
2VarianINOVA800
NMR Refinement
MethodDetailsSoftware
simulated annealing1500 NOE-derived distance restraints and 75 torsion angle restraintsNMRPipe
NMR Ensemble Information
Conformer Selection Criteriastructures with the lowest energy
Conformers Calculated Total Number100
Conformers Submitted Total Number20
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1processingNMRPipe2.3Delaglio, F.
2structure solutionCYANA2.1Gunter, P.
3refinementCNS1.0Brunger, A.T. et al