SOLUTION NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
1 3D HNCACB 1.0 mM [U-13C; U-15N] GEFH1 28-100, 150 mM NaCl, 25 mM NaPi, 10 % v/v [U-2H] D2O, 90 % v/v H2O, 90% H2O/10% D2O 175 90% H2O/10% D2O 7.2 1 298
2 3D CBCA(CO)NH 1.0 mM [U-13C; U-15N] GEFH1 28-100, 150 mM NaCl, 25 mM NaPi, 10 % v/v [U-2H] D2O, 90 % v/v H2O, 90% H2O/10% D2O 175 90% H2O/10% D2O 7.2 1 298
3 3D HCCH-TOCSY 1.0 mM [U-13C; U-15N] GEFH1 28-100, 150 mM NaCl, 25 mM NaPi, 10 % v/v [U-2H] D2O, 90 % v/v H2O, 90% H2O/10% D2O 175 90% H2O/10% D2O 7.2 1 298
4 3D 1H-13C NOESY 1.0 mM [U-13C; U-15N] GEFH1 28-100, 150 mM NaCl, 25 mM NaPi, 10 % v/v [U-2H] D2O, 90 % v/v H2O, 90% H2O/10% D2O 175 90% H2O/10% D2O 7.2 1 298
5 3D 1H-15N NOESY 1.0 mM [U-13C; U-15N] GEFH1 28-100, 150 mM NaCl, 25 mM NaPi, 10 % v/v [U-2H] D2O, 90 % v/v H2O, 90% H2O/10% D2O 175 90% H2O/10% D2O 7.2 1 298
6 2D 1H-13C HSQC 1.0 mM [U-13C; U-15N] GEFH1 28-100, 150 mM NaCl, 25 mM NaPi, 10 % v/v [U-2H] D2O, 90 % v/v H2O, 90% H2O/10% D2O 175 90% H2O/10% D2O 7.2 1 298
7 2D 1H-15N HSQC 1.0 mM [U-13C; U-15N] GEFH1 28-100, 150 mM NaCl, 25 mM NaPi, 10 % v/v [U-2H] D2O, 90 % v/v H2O, 90% H2O/10% D2O 175 90% H2O/10% D2O 7.2 1 298
NMR Spectrometer Information
Spectrometer Manufacturer Model Field Strength
NMR Refinement
Method Details Software
molecular dynamics ? 3
NMR Ensemble Information
Conformer Selection Criteria target function
Conformers Calculated Total Number 100
Conformers Submitted Total Number 20
Representative Model 1 (target function)
Computation: NMR Software
# Classification Version Software Name Author
1 chemical shift assignment ? CARA Keller and Wuthrich
2 structure calculation ? CYANA Guntert, Mumenthaler and Wuthrich
3 refinement ? Amber Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman
4 peak picking ? CcpNmr Analysis CCPN
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