2GMO

NMR-structure of an independently folded C-terminal domain of influenza polymerase subunit PB2


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
13D 15N-NOESY-HSQC50 mM Tris buffer pH 7.5, 200 mM NaCl, 1 mM EDTA, 0.01% NaN3, 90% H2O, 10% D2O90% H2O/10% D2O200 mM NaCl7.5ambient283
23D 13C-NOESY-HSQC50 mM Tris buffer pH 7.5, 200 mM NaCl, 1 mM EDTA, 0.01% NaN3, 90% H2O, 10% D2O90% H2O/10% D2O200 mM NaCl7.5ambient283
33D methyl-selective 13C-NOESY-HSQC50 mM Tris buffer pH 7.5, 200 mM NaCl, 1 mM EDTA, 0.01% NaN3, 90% H2O, 10% D2O90% H2O/10% D2O200 mM NaCl7.5ambient283
4HNHA50 mM Tris buffer pH 7.5, 200 mM NaCl, 1 mM EDTA, 0.01% NaN3100% D2O200 mM NaCl7.5ambient283
52D homonuclear NOESY50 mM Tris buffer pH 7.5, 200 mM NaCl, 1 mM EDTA, 0.01% NaN3100% D2O200 mM NaCl7.5ambient283
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1VarianINOVA800
2VarianINOVA600
NMR Refinement
MethodDetailsSoftware
simulated annealingstarting from extended conformation, 1000 structures calculated with CNS using distance and dihedral restraints from NOE data and Talos, hydrogen bonds added from exchange experimentCNS
NMR Ensemble Information
Conformer Selection Criteria10 structures of lowest energy
Conformers Calculated Total Number1000
Conformers Submitted Total Number10
Representative Model1 (lowest energy)
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1structure solutionCNScns_solve_1.1Brunger A. T. et all
2refinementCNScns_solve_1.1