SOLUTION NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
1 2D 1H-15N HSQC 20 mM Na2HPO4-NaH2PO4, 50 mM sodium chloride, 1 mM EDTA, 1 mM DTT, H2O 70 H2O 7.0 1 298
2 3D CBCA(CO)NH 20 mM Na2HPO4-NaH2PO4, 50 mM sodium chloride, 1 mM EDTA, 1 mM DTT, H2O 70 H2O 7.0 1 298
3 3D HNCACB 20 mM Na2HPO4-NaH2PO4, 50 mM sodium chloride, 1 mM EDTA, 1 mM DTT, H2O 70 H2O 7.0 1 298
4 3D C(CO)NH 20 mM Na2HPO4-NaH2PO4, 50 mM sodium chloride, 1 mM EDTA, 1 mM DTT, H2O 70 H2O 7.0 1 298
5 3D HBHA(CO)NH 20 mM Na2HPO4-NaH2PO4, 50 mM sodium chloride, 1 mM EDTA, 1 mM DTT, H2O 70 H2O 7.0 1 298
7 3D H(CCO)NH 20 mM Na2HPO4-NaH2PO4, 50 mM sodium chloride, 1 mM EDTA, 1 mM DTT, H2O 70 H2O 7.0 1 298
6 3D HNCO 20 mM Na2HPO4-NaH2PO4, 50 mM sodium chloride, 1 mM EDTA, 1 mM DTT, H2O 70 H2O 7.0 1 298
9 3D 1H-13C NOESY 20 mM Na2HPO4-NaH2PO4, 50 mM sodium chloride, 1 mM EDTA, 1 mM DTT, H2O 70 H2O 7.0 1 298
8 3D 1H-15N NOESY 20 mM Na2HPO4-NaH2PO4, 50 mM sodium chloride, 1 mM EDTA, 1 mM DTT, H2O 70 H2O 7.0 1 298
10 3D HCACO 20 mM Na2HPO4-NaH2PO4, 50 mM sodium chloride, 1 mM EDTA, 1 mM DTT, H2O 70 H2O 7.0 1 298
12 3D HCCH-TOCSY 20 mM Na2HPO4-NaH2PO4, 50 mM sodium chloride, 1 mM EDTA, 1 mM DTT, H2O 70 H2O 7.0 1 298
NMR Spectrometer Information
Spectrometer Manufacturer Model Field Strength
1 Agilent Direct Drive 600
NMR Refinement
Method Details Software
DGSA-distance geometry simulated annealing ? 2
NMR Ensemble Information
Conformer Selection Criteria structures with the lowest energy
Conformers Calculated Total Number 200
Conformers Submitted Total Number 20
Representative Model 1 (lowest energy)
Computation: NMR Software
# Classification Version Software Name Author
2 structure calculation 2.0 CYANA Guntert, Mumenthaler and Wuthrich
3 chemical shift assignment ? Sparky Goddard
4 peak picking ? Sparky Goddard
5 processing ? NMRPipe Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
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