SOLUTION NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
1 2D 1H-15N HSQC 500 uM [U-100% 13C; U-100% 15N] Mesophilic cold shock protein, 50 mM potassium phosphate, 100 mM KCl, 0.1 mM EDTA, 90% H2O/10% D2O 0 90% H2O/10% D2O 6.5 1 283
2 3D HNCACB 500 uM [U-100% 13C; U-100% 15N] Mesophilic cold shock protein, 50 mM potassium phosphate, 100 mM KCl, 0.1 mM EDTA, 90% H2O/10% D2O 0 90% H2O/10% D2O 6.5 1 283
3 3D HN(COCA)CB 500 uM [U-100% 13C; U-100% 15N] Mesophilic cold shock protein, 50 mM potassium phosphate, 100 mM KCl, 0.1 mM EDTA, 90% H2O/10% D2O 0 90% H2O/10% D2O 6.5 1 283
4 3D HNCO 500 uM [U-100% 13C; U-100% 15N] Mesophilic cold shock protein, 50 mM potassium phosphate, 100 mM KCl, 0.1 mM EDTA, 90% H2O/10% D2O 0 90% H2O/10% D2O 6.5 1 283
5 3D HN(CA)CO 500 uM [U-100% 13C; U-100% 15N] Mesophilic cold shock protein, 50 mM potassium phosphate, 100 mM KCl, 0.1 mM EDTA, 90% H2O/10% D2O 0 90% H2O/10% D2O 6.5 1 283
6 3D HBHA(CO)NH 500 uM [U-100% 13C; U-100% 15N] Mesophilic cold shock protein, 50 mM potassium phosphate, 100 mM KCl, 0.1 mM EDTA, 90% H2O/10% D2O 0 90% H2O/10% D2O 6.5 1 283
7 3D HCCH-TOCSY 500 uM [U-100% 13C; U-100% 15N] Mesophilic cold shock protein, 50 mM potassium phosphate, 100 mM KCl, 0.1 mM EDTA, 90% H2O/10% D2O 0 90% H2O/10% D2O 6.5 1 283
8 3D HCCH-TOCSY 500 uM [U-100% 13C; U-100% 15N] Mesophilic cold shock protein, 50 mM potassium phosphate, 100 mM KCl, 0.1 mM EDTA, 90% H2O/10% D2O 0 90% H2O/10% D2O 6.5 1 283
9 2D 1H-13C HSQC 500 uM [U-100% 13C; U-100% 15N] Mesophilic cold shock protein, 50 mM potassium phosphate, 100 mM KCl, 0.1 mM EDTA, 90% H2O/10% D2O 0 90% H2O/10% D2O 6.5 1 283
10 2D 1H-13C HSQC aromatic 500 uM [U-100% 13C; U-100% 15N] Mesophilic cold shock protein, 50 mM potassium phosphate, 100 mM KCl, 0.1 mM EDTA, 90% H2O/10% D2O 0 90% H2O/10% D2O 6.5 1 283
11 2D (HB)CB(CGCD)HD 500 uM [U-100% 13C; U-100% 15N] Mesophilic cold shock protein, 50 mM potassium phosphate, 100 mM KCl, 0.1 mM EDTA, 90% H2O/10% D2O 0 90% H2O/10% D2O 6.5 1 283
12 2D (HB)CB(CGCDCE)HE 500 uM [U-100% 13C; U-100% 15N] Mesophilic cold shock protein, 50 mM potassium phosphate, 100 mM KCl, 0.1 mM EDTA, 90% H2O/10% D2O 0 90% H2O/10% D2O 6.5 1 283
13 3D 1H-13C NOESY aliphatic 500 uM [U-100% 13C; U-100% 15N] Mesophilic cold shock protein, 50 mM potassium phosphate, 100 mM KCl, 0.1 mM EDTA, 90% H2O/10% D2O 0 90% H2O/10% D2O 6.5 1 283
14 3D 1H-13C NOESY aromatic 500 uM [U-100% 13C; U-100% 15N] Mesophilic cold shock protein, 50 mM potassium phosphate, 100 mM KCl, 0.1 mM EDTA, 90% H2O/10% D2O 0 90% H2O/10% D2O 6.5 1 283
15 3D 1H-15N NOESY 500 uM [U-100% 13C; U-100% 15N] Mesophilic cold shock protein, 50 mM potassium phosphate, 100 mM KCl, 0.1 mM EDTA, 90% H2O/10% D2O 0 90% H2O/10% D2O 6.5 1 283
NMR Spectrometer Information
Spectrometer Manufacturer Model Field Strength
NMR Refinement
Method Details Software
NMR Ensemble Information
Conformer Selection Criteria structures with the lowest energy
Conformers Calculated Total Number 100
Conformers Submitted Total Number 10
Representative Model 1 (lowest energy)
Computation: NMR Software
# Classification Version Software Name Author
1 collection ? TopSpin Bruker Biospin
2 processing ? TopSpin Bruker Biospin
3 processing ? NMRPipe Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
4 peak picking ? CcpNmr Analysis CCPN
5 chemical shift assignment ? CcpNmr Analysis CCPN
6 data analysis ? CcpNmr Analysis CCPN
7 structure calculation ? CYANA Guntert, Mumenthaler and Wuthrich
8 refinement ? CNS Brunger, Adams, Clore, Gros, Nilges and Read
9 refinement ? X-PLOR NIH Schwieters, Kuszewski, Tjandra and Clore
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