1SRK

Solution structure of the third zinc finger domain of FOG-1


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
12D NOESY0.27 mM FOG-F3, 2mM TCEP, 1 mM ZnSO4, 95% H2O, 5% D2O95% H2O/5% D2O0 mM5.6ambient275
22D TOCSY0.27 mM FOG-F3, 2mM TCEP, 1 mM ZnSO4, 95% H2O, 5% D2O95% H2O/5% D2O0 mM5.6ambient275
3DQF-COSY0.27 mM FOG-F3, 2mM TCEP, 1 mM ZnSO4, 95% H2O, 5% D2O95% H2O/5% D2O0 mM5.6ambient275
4HNHA0.245 mM 15N-FOG-F3, 2mM TCEP, 1 mM ZnSO4, 95% H2O, 5% D2O95% H2O/5% D2O0 mM5.6ambient275
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerDRX600
NMR Refinement
MethodDetailsSoftware
simulated annealing, molecular dynamics, torsion angle dynamicsfinal structures were based on 859 unambiguous NOE-derived distance constraints, 20 ambiguous constraints and 31 dihedral angle restraintsXwinNMR
NMR Ensemble Information
Conformer Selection Criteriastructures with the lowest energy
Conformers Calculated Total Number1000
Conformers Submitted Total Number20
Representative Model1 (lowest energy)
Additional NMR Experimental Information
DetailsStructure was determined using standard 2D homonuclear NMR spectroscopy
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1processingXwinNMR2.6Bruker
2data analysisXEASY1.3.13Bartels et al
3refinementDYANA1.5Guntert et al
4structure solutionARIA1.2Linge et al