2L4G

Influenza Haemagglutinin fusion peptide mutant G13A


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
12D 1H-1H TOCSY2 mM [U-15N] Influenza HA fusion peptide G13A, 200 mM [U-2H] DPC, 20 mM [U-2H] acetic acid, 5 mM DTT95% H2O/5% D2O5ambient303
22D 1H-1H NOESY2 mM [U-15N] Influenza HA fusion peptide G13A, 200 mM [U-2H] DPC, 20 mM [U-2H] acetic acid, 5 mM DTT95% H2O/5% D2O5ambient303
33D HNHA1 mM [U-15N] Influenza HA fusion peptide G13A, 200 mM [U-2H] DPC 20 mM [U-2H] acetic acid, 5 mM DTT95% H2O/5% D2O5ambient303
43D 1H-15N NOESY1 mM [U-15N] Influenza HA fusion peptide G13A, 200 mM [U-2H] DPC 20 mM [U-2H] acetic acid, 5 mM DTT95% H2O/5% D2O5ambient303
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1VarianINOVA600
NMR Refinement
MethodDetailsSoftware
simulated annealingSPARKY
NMR Ensemble Information
Conformer Selection Criteriastructures with the lowest energy
Conformers Calculated Total Number40
Conformers Submitted Total Number20
Representative Model1 (closest to the average)
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1chemical shift assignmentSPARKYGoddard
2data analysisSPARKYGoddard
3processingNMRPipeDelaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
4refinementOPALLuginbuhl, Guntert, Billeter and Wuthrich
5structure solutionCYANAGuntert, Mumenthaler and Wuthrich