SOLUTION NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
1 1D 1H 200 uM [U-100% 13C; U-100% 15N] Fd3, 50 mM sodium phosphate, 280 mM sodium chloride, 90% H2O/10% D2O 330 90% H2O/10% D2O 6.5 1 298
2 2D 1H-15N HSQC 200 uM [U-100% 13C; U-100% 15N] Fd3, 50 mM sodium phosphate, 280 mM sodium chloride, 90% H2O/10% D2O 330 90% H2O/10% D2O 6.5 1 298
3 2D 1H-13C HSQC 200 uM [U-100% 13C; U-100% 15N] Fd3, 50 mM sodium phosphate, 280 mM sodium chloride, 90% H2O/10% D2O 330 90% H2O/10% D2O 6.5 1 298
4 3D HNCO 200 uM [U-100% 13C; U-100% 15N] Fd3, 50 mM sodium phosphate, 280 mM sodium chloride, 90% H2O/10% D2O 330 90% H2O/10% D2O 6.5 1 298
5 3D CBCA(CO)NH 200 uM [U-100% 13C; U-100% 15N] Fd3, 50 mM sodium phosphate, 280 mM sodium chloride, 90% H2O/10% D2O 330 90% H2O/10% D2O 6.5 1 298
6 3D 1H-15N NOESY 200 uM [U-100% 13C; U-100% 15N] Fd3, 50 mM sodium phosphate, 280 mM sodium chloride, 90% H2O/10% D2O 330 90% H2O/10% D2O 6.5 1 298
7 3D HN(CO)CA 200 uM [U-100% 13C; U-100% 15N] Fd3, 50 mM sodium phosphate, 280 mM sodium chloride, 90% H2O/10% D2O 330 90% H2O/10% D2O 6.5 1 298
8 3D HNCACB 200 uM [U-100% 13C; U-100% 15N] Fd3, 50 mM sodium phosphate, 280 mM sodium chloride, 90% H2O/10% D2O 330 90% H2O/10% D2O 6.5 1 298
9 3D HCCH-TOCSY 200 uM [U-100% 13C; U-100% 15N] Fd3, 50 mM sodium phosphate, 280 mM sodium chloride, 90% H2O/10% D2O 330 90% H2O/10% D2O 6.5 1 298
10 3D C(CO)NH 200 uM [U-100% 13C; U-100% 15N] Fd3, 50 mM sodium phosphate, 280 mM sodium chloride, 90% H2O/10% D2O 330 90% H2O/10% D2O 6.5 1 298
11 3D HBHA(CO)NH 200 uM [U-100% 13C; U-100% 15N] Fd3, 50 mM sodium phosphate, 280 mM sodium chloride, 90% H2O/10% D2O 330 90% H2O/10% D2O 6.5 1 298
12 3D 1H-13C NOESY 200 uM [U-100% 13C; U-100% 15N] Fd3, 50 mM sodium phosphate, 280 mM sodium chloride, 90% H2O/10% D2O 330 90% H2O/10% D2O 6.5 1 298
NMR Spectrometer Information
Spectrometer Manufacturer Model Field Strength
1 Bruker AVANCE III HD 850
NMR Refinement
Method Details Software
simulated annealing ? 5
NMR Ensemble Information
Conformer Selection Criteria target function
Conformers Calculated Total Number 100
Conformers Submitted Total Number 30
Representative Model 1 (target function)
Computation: NMR Software
# Classification Version Software Name Author
1 collection 3.6.5 TopSpin Bruker Biospin
2 chemical shift assignment ? Poky Manthey, Tonelli, Clos II, Rahimi, Markley and Lee
4 data analysis ? TALOS Cornilescu, Delaglio and Bax
3 structure calculation ? CYANA Guntert, Mumenthaler and Wuthrich
5 refinement ? YASARA Elmar Krieger, Sander Nabuurs, Chris Spronk YASARA Biosciences GmbH
Feedback Form
Name
Email
Institute
Feedback