2LZS

TatA oligomer


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
12D 1H-15N HMQC0.5 mM [U-15N] Protein, 30 mM DPC95% H2O/5% D2O0.057.0ambient303
23D 1H-13C NOESY aliphatic0.5 mM [U-13C; U-15N] Protein, 30 mM [U-2H] DPC95% H2O/5% D2O0.057.0ambient310
33D 1H-13C NOESY aromatic0.5 mM [U-13C; U-15N; U-2H] Protein, 30 mM [U-2H] DPC95% H2O/5% D2O0.057.0ambient303
43D 1H-13C NOESY aliphatic0.5 mM [U-13C; U-15N; U-2H] Protein, 30 mM [U-2H] DPC95% H2O/5% D2O0.057.0ambient303
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1Home-builtOMEGA950
2Home-builtOMEGA750
3Home-builtOMEGA600
4BrukerAVANCE500
NMR Refinement
MethodDetailsSoftware
simulated annealingX-PLOR NIH
NMR Ensemble Information
Conformer Selection Criteriastructures with the lowest energy
Conformers Calculated Total Number10
Conformers Submitted Total Number1
Representative Model1 (lowest energy)
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1refinementX-PLOR NIHSchwieters, Kuszewski, Tjandra and Clore
2chemical shift assignmentCARAKeller and Wuthrich
3data analysisNMRDrawDelaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
4processingNMRPipeDelaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax