1DAX

OXIDISED DESULFOVIBRIO AFRICANUS FERREDOXIN I, NMR, MINIMIZED AVERAGE STRUCTURE


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
1DQF-COSY90%H2O/10%D2O, 99.9%D2O7.21 atm298
2TOCSY90%H2O/10%D2O, 99.9%D2O7.21 atm298
3NOESY90%H2O/10%D2O, 99.9%D2O7.21 atm298
41D NOE90%H2O/10%D2O, 99.9%D2O7.21 atm298
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1JEOLJEOL GX-400400
2BrukerJEOL A-500500
3VarianBRUKER AMX500 AND AMX600600
4VarianVARIAN UNITY INOVA 600600
NMR Refinement
MethodDetailsSoftware
DISTANCE GEOMETRY, DG-SIMULATED ANNEALINGDIANA
NMR Ensemble Information
Conformer Selection Criteria
Conformers Calculated Total Number75
Conformers Submitted Total Number1
Additional NMR Experimental Information
DetailsTHE STRUCTURES WERE OBTAINED USING 1H-1H 2D NMR EXPERIMENTS (DQF-COSY, TOCSY, NOESY). ADDITIONALLY 1D NOE EXPERIMENTS PROVIDED INFORMATION ON THE REGIONS OF THE PROTEIN CLOSE TO THE PARAMAGNETIC 4FE-4S CLUSTER.
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1refinementDIANA2.5GUNTERT,WUTHRICH
2structure solutionDIANA2.5
3structure solutionX-PLOR3.843