SOLUTION NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
1 3D 1H-13C NOESY 800 uM [U-13C; U-15N] ZF5.3, 20 mM TRIS, 100 mM sodium chloride, 2 mM TCEP, 1.6 mM ZnCl2, 90% H2O/10% D2O 150 90% H2O/10% D2O 5.5 1 298
6 3D 1H-15N NOESY 800 uM [U-13C; U-15N] ZF5.3, 20 mM TRIS, 100 mM sodium chloride, 2 mM TCEP, 1.6 mM ZnCl2, 90% H2O/10% D2O 150 90% H2O/10% D2O 5.5 1 298
2 2D 1H-13C HSQC 800 uM [U-13C; U-15N] ZF5.3, 20 mM TRIS, 100 mM sodium chloride, 2 mM TCEP, 1.6 mM ZnCl2, 90% H2O/10% D2O 150 90% H2O/10% D2O 5.5 1 298
3 2D 1H-13C HSQC aromatic 800 uM [U-13C; U-15N] ZF5.3, 20 mM TRIS, 100 mM sodium chloride, 2 mM TCEP, 1.6 mM ZnCl2, 90% H2O/10% D2O 150 90% H2O/10% D2O 5.5 1 298
4 2D 1H-15N HSQC 800 uM [U-13C; U-15N] ZF5.3, 20 mM TRIS, 100 mM sodium chloride, 2 mM TCEP, 1.6 mM ZnCl2, 90% H2O/10% D2O 150 90% H2O/10% D2O 5.5 1 298
5 3D HCCH-TOCSY 800 uM [U-13C; U-15N] ZF5.3, 20 mM TRIS, 100 mM sodium chloride, 2 mM TCEP, 1.6 mM ZnCl2, 90% H2O/10% D2O 150 90% H2O/10% D2O 5.5 1 298
7 1D 1H 800 uM [U-13C; U-15N] ZF5.3, 20 mM TRIS, 100 mM sodium chloride, 2 mM TCEP, 1.6 mM ZnCl2, 90% H2O/10% D2O 150 90% H2O/10% D2O 5.5 1 298
8 1D 1H 800 uM [U-13C; U-15N] ZF5.3, 20 mM TRIS, 100 mM sodium chloride, 2 mM TCEP, 1.6 mM ZnCl2, 90% H2O/10% D2O 150 90% H2O/10% D2O 5.5 1 298
NMR Spectrometer Information
Spectrometer Manufacturer Model Field Strength
NMR Refinement
Method Details Software
molecular dynamics ? 3
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
1 chemical shift assignment 3.2.0 CcpNmr Analysis Assign Laue E.D.
5 processing 4.3.0 TopSpin Bruker Biospin
2 structure calculation ? X-PLOR NIH Schwieters, Kuszewski, Tjandra and Clore
3 refinement 3.5 X-PLOR NIH Schwieters, Kuszewski, Tjandra and Clore
4 peak picking ? ARTINA Klukowski, P., Riek, R. and Guntert, P.
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