1JEX

SOLUTION STRUCTURE OF A67V MUTANT OF RAT FERRO CYTOCHROME B5


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
12D NOESY2MM F35Y CYTOCHROME B5;1MM PHOSPHATE BUFFER; PURGED WITH NITROGEN GAS AND REDUCED BY ADDING FEW GRAINS OF SODIUM DITHIONATE AND SEALED USING OXY-ACETYLENE TORCH; 0.05 MM TSP AS INTERNAL REFERENCE90% H2O/10% D2O1 mM7.0ambient313
2HNHA2MM F35Y CYTOCHROME B5;1MM PHOSPHATE BUFFER; PURGED WITH NITROGEN GAS AND REDUCED BY ADDING FEW GRAINS OF SODIUM DITHIONATE AND SEALED USING OXY-ACETYLENE TORCH; 0.05 MM TSP AS INTERNAL REFERENCE90% H2O/10% D2O1 mM7.0ambient313
33D_15N-separated_NOESY2MM F35Y CYTOCHROME B5;1MM PHOSPHATE BUFFER; PURGED WITH NITROGEN GAS AND REDUCED BY ADDING FEW GRAINS OF SODIUM DITHIONATE AND SEALED USING OXY-ACETYLENE TORCH; 0.05 MM TSP AS INTERNAL REFERENCE90% H2O/10% D2O1 mM7.0ambient313
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerDMX600
NMR Refinement
MethodDetailsSoftware
torsion angle dynamicsTHE STRUCTURE WAS CALCULATED USING 1177 NOE RESTRAINTS AND 75 DIHEDRAL ANGLE RESTRAINTS; RESIDUES 1-3 AND 89-94 WERE NOT INCLUDED IN THE REFINED MODEL BECAUSE OF A LACK OF RESTRAINTS IN THESE PRESUMABLY UNSTRUCTURED REGIONS OF THE PROTEIN.DYANA
NMR Ensemble Information
Conformer Selection Criteriastructures with acceptable covalent geometry, structures with the least restraint violations, target function
Conformers Calculated Total Number200
Conformers Submitted Total Number20
Representative Model1 (fewest violations, lowest energy)
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1refinementDYANA1.5Guentert, P.
2collectionXwinNMR2.1Bruker
3data analysisFelix97MSI
4processingNMRPipe1.8Delaglio, F.