1TE7

Solution NMR Structure of Protein yqfB from Escherichia coli. Northeast Structural Genomics Consortium Target ET99


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
1GFT (4,3)D HNNCABCA1mM U-13C,15N YqfB,25 mM Na phosphate, 400 mM NaCl, 1 mM DTT, 20 mM ZnCl2, 0.01% NaN3, 90% H2O, 10% D2O90% H2O/10% D2O6.5
2GFT (4,3)D CABCA(CO)NHN1mM U-13C,15N YqfB,25 mM Na phosphate, 400 mM NaCl, 1 mM DTT, 20 mM ZnCl2, 0.01% NaN3, 90% H2O, 10% D2O90% H2O/10% D2O6.5
3GFT (5,2)D HACACONHN1mM U-13C,15N YqfB,25 mM Na phosphate, 400 mM NaCl, 1 mM DTT, 20 mM ZnCl2, 0.01% NaN3, 90% H2O, 10% D2O90% H2O/10% D2O6.5
4GFT (4,3)D HCCH COSY1mM U-13C,15N YqfB,25 mM Na phosphate, 400 mM NaCl, 1 mM DTT, 20 mM ZnCl2, 0.01% NaN3, 90% H2O, 10% D2O90% H2O/10% D2O6.5
53D 15N,13Caliphatic,13Caromatic-resolved [1H,1H]-NOESY1mM U-13C,15N YqfB,25 mM Na phosphate, 400 mM NaCl, 1 mM DTT, 20 mM ZnCl2, 0.01% NaN3, 90% H2O, 10% D2O90% H2O/10% D2O6.5
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1VarianINOVA600
NMR Refinement
MethodDetailsSoftware
torsion angle dynamics with DYANAPROSA
NMR Ensemble Information
Conformer Selection Criteriastructures with the least restraint violations,structures with the lowest energy
Conformers Calculated Total Number100
Conformers Submitted Total Number20
Representative Model1 (fewest violations,lowest energy)
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1processingPROSA6Guentert
2data analysisXEASY1Bartels, C
3data analysisAutoAssign1Moseley, H.N.M.
4refinementDYANA5Guentert, P.