2NOC

Solution Structure of Putative periplasmic protein: Northest Structural Genomics Target StR106


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
1GFT (4,3)D HNNCABCA1.1 mM protein, 10mM Tris, 100mM NaCl, 0.02% NaN3, 90% H2O, 10% D2O90% H2O/10% D2O4.51 atm298
2GFT (4,3)D CABCA(CO)NHN1.1 mM protein, 10mM Tris, 100mM NaCl, 0.02% NaN3, 90% H2O, 10% D2O90% H2O/10% D2O4.51 atm298
3GFT (4,3)D HABCAB(CO)NHN1.1 mM protein, 10mM Tris, 100mM NaCl, 0.02% NaN3, 90% H2O, 10% D2O90% H2O/10% D2O4.51 atm298
4GFT (4,3)D HCCH1.1 mM protein, 10mM Tris, 100mM NaCl, 0.02% NaN3, 90% H2O, 10% D2O90% H2O/10% D2O4.51 atm298
5SIMULTANEOUS HETERONUCLEAR RESOLVED [1H,1H]-NOESY1.1 mM protein, 10mM Tris, 100mM NaCl, 0.02% NaN3, 90% H2O, 10% D2O90% H2O/10% D2O4.51 atm298
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1VarianINOVA750
NMR Refinement
MethodDetailsSoftware
distance geometry, simulated annealing, molecular dynamics, torsion angle dynamicsDYANA
NMR Ensemble Information
Conformer Selection Criteriastructures with the lowest energy
Conformers Calculated Total Number100
Conformers Submitted Total Number20
Representative Model1 (lowest energy)
Additional NMR Experimental Information
DetailsThis structure was determined using GFT techniques
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1data analysisDYANA1.5Guntert, P. et al.
2processingNMRPipe2.3Delaglio, F. et al.
3structure solutionCYANA2.1Guntert, P. et al.
4refinementCNS1.1Brunger, A.T. et al.
5data analysisXEASY1.3Bartels, C., Xia, T.H.
6data analysisAutoStructure2.0.0Huang, Y.J.
7data analysisUBNMR1.0Shen, Y.