SOLUTION NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
1 2D 1H-15N HSQC 466 uM [U-13C; U-15N] Staphylokinase SY155, 50 mM sodium phosphate, 100 mM NaCl, 0.5 mM EDTA, 1 mM DTT, 0.04 % sodium azide, 90% H2O/10% D2O 50 mM sodium phosphate 100 mM NaCl 90% H2O/10% D2O 6.7 1 298
2 2D 1H-13C HSQC 466 uM [U-13C; U-15N] Staphylokinase SY155, 50 mM sodium phosphate, 100 mM NaCl, 0.5 mM EDTA, 1 mM DTT, 0.04 % sodium azide, 90% H2O/10% D2O 50 mM sodium phosphate 100 mM NaCl 90% H2O/10% D2O 6.7 1 298
4 CBCACONH 466 uM [U-13C; U-15N] Staphylokinase SY155, 50 mM sodium phosphate, 100 mM NaCl, 0.5 mM EDTA, 1 mM DTT, 0.04 % sodium azide, 90% H2O/10% D2O 50 mM sodium phosphate 100 mM NaCl 90% H2O/10% D2O 6.7 1 298
5 3D 1H-13C NOESY 466 uM [U-13C; U-15N] Staphylokinase SY155, 50 mM sodium phosphate, 100 mM NaCl, 0.5 mM EDTA, 1 mM DTT, 0.04 % sodium azide, 90% H2O/10% D2O 50 mM sodium phosphate 100 mM NaCl 90% H2O/10% D2O 6.7 1 298
7 3D HNCA 466 uM [U-13C; U-15N] Staphylokinase SY155, 50 mM sodium phosphate, 100 mM NaCl, 0.5 mM EDTA, 1 mM DTT, 0.04 % sodium azide, 90% H2O/10% D2O 50 mM sodium phosphate 100 mM NaCl 90% H2O/10% D2O 6.7 1 298
8 3D HNCO 466 uM [U-13C; U-15N] Staphylokinase SY155, 50 mM sodium phosphate, 100 mM NaCl, 0.5 mM EDTA, 1 mM DTT, 0.04 % sodium azide, 90% H2O/10% D2O 50 mM sodium phosphate 100 mM NaCl 90% H2O/10% D2O 6.7 1 298
9 3D 1H-15N NOESY 466 uM [U-13C; U-15N] Staphylokinase SY155, 50 mM sodium phosphate, 100 mM NaCl, 0.5 mM EDTA, 1 mM DTT, 0.04 % sodium azide, 90% H2O/10% D2O 50 mM sodium phosphate 100 mM NaCl 90% H2O/10% D2O 6.7 1 298
10 CBCANH 466 uM [U-13C; U-15N] Staphylokinase SY155, 50 mM sodium phosphate, 100 mM NaCl, 0.5 mM EDTA, 1 mM DTT, 0.04 % sodium azide, 90% H2O/10% D2O 50 mM sodium phosphate 100 mM NaCl 90% H2O/10% D2O 6.7 1 298
11 3D C(CO)NH 466 uM [U-13C; U-15N] Staphylokinase SY155, 50 mM sodium phosphate, 100 mM NaCl, 0.5 mM EDTA, 1 mM DTT, 0.04 % sodium azide, 90% H2O/10% D2O 50 mM sodium phosphate 100 mM NaCl 90% H2O/10% D2O 6.7 1 298
12 3D HCCH-TOCSY 466 uM [U-13C; U-15N] Staphylokinase SY155, 50 mM sodium phosphate, 100 mM NaCl, 0.5 mM EDTA, 1 mM DTT, 0.04 % sodium azide, 90% H2O/10% D2O 50 mM sodium phosphate 100 mM NaCl 90% H2O/10% D2O 6.7 1 298
NMR Spectrometer Information
Spectrometer Manufacturer Model Field Strength
1 Bruker AVANCE NEO 700
NMR Refinement
Method Details Software
simulated annealing CYANA through nmrtist.org 7
NMR Ensemble Information
Conformer Selection Criteria all calculated structures submitted
Conformers Calculated Total Number 20
Conformers Submitted Total Number 20
Representative Model 1 (target function)
Computation: NMR Software
# Classification Version Software Name Author
1 collection ? TopSpin Bruker Biospin
2 peak picking ? ARTINA Klukowski, P., Riek, R. and Guntert, P.
3 chemical shift assignment ? ARTINA Klukowski, P., Riek, R. and Guntert, P.
4 structure calculation ? ARTINA Klukowski, P., Riek, R. and Guntert, P.
5 data analysis ? Poky Manthey, Tonelli, Clos II, Rahimi, Markley and Lee
6 processing ? TopSpin Bruker Biospin
7 structure calculation ? CYANA Guntert, Mumenthaler and Wuthrich
8 chemical shift assignment ? I-PINE Lee, Bahrami, Dashti, Eghbalnia, Tonelli, Westler and Markley
Feedback Form
Name
Email
Institute
Feedback