1RFL

NMR data driven structural model of G-domain of MnmE protein


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
1Triple resonance experiments for BB assignment0.3 Gdomain MnmE, phosphate buffer, NaCl95% H2O/5% D2O50 mM71 atm298
23D_15N-separated_NOESY0.3 Gdomain MnmE, phosphate buffer, NaCl95% H2O/5% D2O50 mM71 atm298
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerDPX500
2BrukerAMX500
3BrukerAMX800
NMR Refinement
MethodDetailsSoftware
NMR restraints were obtained from the backbone assignment (TALOS analysis for dihedral angle constraints) and from the 15N-edited 3D NOESY. Additional structural information was obtained from the homologous GTPAse protein structures.NMRPipe
NMR Ensemble Information
Conformer Selection Criteriastructures with the lowest energy
Conformers Calculated Total Number200
Conformers Submitted Total Number20
Representative Model1 (fewest violations)
Additional NMR Experimental Information
DetailsBackbone assignment would not be possible without cryoprobe spectrometers because of the low solubility and stability of the protein.
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1processingNMRPipe2002DelAglio et al.
2data analysisSparky2002Goddard et al.
3structure solutionDYANA2000Guntert et al.
4refinementDYANA2000Guntert et al.