SOLUTION NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
1 2D 1H-15N HSQC 1 mM [U-100% 13C; U-100% 15N] DnaK-ctail-CBD2, 75 mM potassium chloride, 20 mM potassium phosphate, 0.04 % sodium azide, 90% H2O/10% D2O 100 90% H2O/10% D2O 7 1 298
2 2D 1H-13C HSQC 1 mM [U-100% 13C; U-100% 15N] DnaK-ctail-CBD2, 75 mM potassium chloride, 20 mM potassium phosphate, 0.04 % sodium azide, 90% H2O/10% D2O 100 90% H2O/10% D2O 7 1 298
3 3D HNCACB 1 mM [U-100% 13C; U-100% 15N] DnaK-ctail-CBD2, 75 mM potassium chloride, 20 mM potassium phosphate, 0.04 % sodium azide, 90% H2O/10% D2O 100 90% H2O/10% D2O 7 1 298
4 3D HNCO 1 mM [U-100% 13C; U-100% 15N] DnaK-ctail-CBD2, 75 mM potassium chloride, 20 mM potassium phosphate, 0.04 % sodium azide, 90% H2O/10% D2O 100 90% H2O/10% D2O 7 1 298
5 3D HBHA(CO)NH 1 mM [U-100% 13C; U-100% 15N] DnaK-ctail-CBD2, 75 mM potassium chloride, 20 mM potassium phosphate, 0.04 % sodium azide, 90% H2O/10% D2O 100 90% H2O/10% D2O 7 1 298
12 3D 1H-15N NOESY 1 mM [U-100% 13C; U-100% 15N] DnaK-ctail-CBD2, 75 mM potassium chloride, 20 mM potassium phosphate, 0.04 % sodium azide, 90% H2O/10% D2O 100 90% H2O/10% D2O 7 1 298
11 3D 1H-13C NOESY 1 mM [U-100% 13C; U-100% 15N] DnaK-ctail-CBD2, 75 mM potassium chloride, 20 mM potassium phosphate, 0.04 % sodium azide, 90% H2O/10% D2O 100 90% H2O/10% D2O 7 1 298
10 3D CCH-noesy 1 mM [U-100% 13C; U-100% 15N] DnaK-ctail-CBD2, 75 mM potassium chloride, 20 mM potassium phosphate, 0.04 % sodium azide, 90% H2O/10% D2O 100 90% H2O/10% D2O 7 1 298
9 3D CaroCH-noesy 1 mM [U-100% 13C; U-100% 15N] DnaK-ctail-CBD2, 75 mM potassium chloride, 20 mM potassium phosphate, 0.04 % sodium azide, 90% H2O/10% D2O 100 90% H2O/10% D2O 7 1 298
8 3D CCH-TOCSY 1 mM [U-100% 13C; U-100% 15N] DnaK-ctail-CBD2, 75 mM potassium chloride, 20 mM potassium phosphate, 0.04 % sodium azide, 90% H2O/10% D2O 100 90% H2O/10% D2O 7 1 298
7 3D H(CCO)NH 1 mM [U-100% 13C; U-100% 15N] DnaK-ctail-CBD2, 75 mM potassium chloride, 20 mM potassium phosphate, 0.04 % sodium azide, 90% H2O/10% D2O 100 90% H2O/10% D2O 7 1 298
NMR Spectrometer Information
Spectrometer Manufacturer Model Field Strength
1 Bruker AVANCE NEO 700
NMR Refinement
Method Details Software
molecular dynamics restrained MD in explicit H2O 1
NMR Ensemble Information
Conformer Selection Criteria target function
Conformers Calculated Total Number 100
Conformers Submitted Total Number 20
Representative Model 1 (lowest energy)
Computation: NMR Software
# Classification Version Software Name Author
1 refinement ? CNS Brunger, Adams, Clore, Gros, Nilges and Read
2 structure calculation ? CYANA Guntert, Mumenthaler and Wuthrich
3 chemical shift assignment ? PINE Bahrami, Markley, Assadi, and Eghbalnia
4 peak picking ? Sparky Goddard
9 collection ? TopSpin Bruker Biospin
8 geometry optimization ? TALOS Cornilescu, Delaglio and Bax
7 processing ? NMRPipe Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
6 geometry optimization ? PSVS Bhattacharya and Montelione
Feedback Form
Name
Email
Institute
Feedback