1H7V

Rubredoxin from Guillardia Theta


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
11H-1H NOESY 6.4298
21H-1H TOCSY 1H-15N HSQC 6.4298
31H-13C CT-HS 15N-EDITED NOESY(3D) 6.4298
413C-EDITED NOESY(3D) HNCO HNCA 6.4298
5HNCACB 6.4298
6CBCA(CO)NH HBHA (CO)NH 6.4298
7HNHA 6.4298
8HCCH-CO 6.4298
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerDRX600
2BrukerDRX600
NMR Refinement
MethodDetailsSoftware
simulated annealingREFINEMENT DETAILS CAN BE FOUND IN THE JRNL CITATION ABOVE. THE IRON-ATOM PRESENT IN THE NATIVE RUBREDOXIN WAS REPLACE BY ZINC IN ORDER TO AVOID PARAMAGNETIC EFFECTS.X-PLOR
NMR Ensemble Information
Conformer Selection CriteriaLEAST RESTRAINT VIOLATION, LOWEST ENERGY
Conformers Calculated Total Number120
Conformers Submitted Total Number29
Representative Model1 (n/a)
Additional NMR Experimental Information
DetailsTHE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR SPECTROSCOPY ON 13C, 15N-LABELED, ZINC-SUBSTITUTED RUBREDOXIN
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1refinementX-PLORBRUNGER
2structure solutionNMRView
3structure solutionNDEE