2MOI

3D NMR structure of the cytoplasmic rhodanese domain of the inner membrane protein YgaP from Escherichia coli


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
12D 1H-15N HSQC2 mM [U-100% 13C; U-100% 15N] YgaP90% H2O/10% D2O07.0ambient303
23D HN(CO)CA2 mM [U-100% 13C; U-100% 15N] YgaP90% H2O/10% D2O07.0ambient303
33D HNCA2 mM [U-100% 13C; U-100% 15N] YgaP90% H2O/10% D2O07.0ambient303
43D HNCACB2 mM [U-100% 13C; U-100% 15N] YgaP90% H2O/10% D2O07.0ambient303
53D HCCH-TOCSY2 mM [U-100% 13C; U-100% 15N] YgaP90% H2O/10% D2O07.0ambient303
63D 1H-15N NOESY2 mM [U-100% 13C; U-100% 15N] YgaP90% H2O/10% D2O07.0ambient303
73D 1H-15N TOCSY2 mM [U-100% 13C; U-100% 15N] YgaP90% H2O/10% D2O07.0ambient303
83D 1H-13C NOESY2 mM [U-100% 13C; U-100% 15N] YgaP90% H2O/10% D2O07.0ambient303
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerAVANCE700
NMR Refinement
MethodDetailsSoftware
simulated annealingCYANA
NMR Ensemble Information
Conformer Selection Criteriatarget function
Conformers Calculated Total Number100
Conformers Submitted Total Number10
Representative Model10 (fewest violations)
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1chemical shift assignmentCYANAHerrmann, Guntert and Wuthrich
2structure solutionCYANAHerrmann, Guntert and Wuthrich
3refinementCYANAHerrmann, Guntert and Wuthrich