SOLUTION NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
1 2D 100ms NOESY 1 mM Optimised PPa-TYR, 8.2 mM Na2HPO4, 1.8 mM KH2PO4, 2.7 mM KCL, 137 mM NaCl, 10 % [U-99% 2H] D2O, 90% H2O/10% D2O 0.1698 90% H2O/10% D2O 7.4 1 278
2 2D 100ms NOESY 1 mM Optimised PPa-TYR, 8.2 mM Na2HPO4, 1.8 mM KH2PO4, 2.7 mM KCL, 137 mM NaCl, 10 % [U-99% 2H] D2O, 90% H2O/10% D2O 0.1698 90% H2O/10% D2O 7.4 1 278
3 2D 1H-1H TOCSY 1 mM Optimised PPa-TYR, 8.2 mM Na2HPO4, 1.8 mM KH2PO4, 2.7 mM KCL, 137 mM NaCl, 10 % [U-99% 2H] D2O, 90% H2O/10% D2O 0.1698 90% H2O/10% D2O 7.4 1 278
4 2D 1H-1H TOCSY 1 mM Optimised PPa-TYR, 8.2 mM Na2HPO4, 1.8 mM KH2PO4, 2.7 mM KCL, 137 mM NaCl, 10 % [U-99% 2H] D2O, 90% H2O/10% D2O 0.1698 90% H2O/10% D2O 7.4 1 278
5 1H-15N HSQC 1 mM Optimised PPa-TYR, 8.2 mM Na2HPO4, 1.8 mM KH2PO4, 2.7 mM KCL, 137 mM NaCl, 10 % [U-99% 2H] D2O, 90% H2O/10% D2O 0.1698 90% H2O/10% D2O 7.4 1 278
8 1H-13N HSQC 1 mM Optimised PPa-TYR, 8.2 mM Na2HPO4, 1.8 mM KH2PO4, 2.7 mM KCL, 137 mM NaCl, 10 % [U-99% 2H] D2O, 90% H2O/10% D2O 0.1698 90% H2O/10% D2O 7.4 1 278
7 2D 1H-1H 250ms NOESY 1 mM Optimised PPa-TYR, 8.2 mM Na2HPO4, 1.8 mM KH2PO4, 2.7 mM KCL, 137 mM NaCl, 10 % [U-99% 2H] D2O, 90% H2O/10% D2O 0.1698 90% H2O/10% D2O 7.4 1 278
6 2D 1H-1H 250ms NOESY 1 mM Optimised PPa-TYR, 8.2 mM Na2HPO4, 1.8 mM KH2PO4, 2.7 mM KCL, 137 mM NaCl, 10 % [U-99% 2H] D2O, 90% H2O/10% D2O 0.1698 90% H2O/10% D2O 7.4 1 278
NMR Spectrometer Information
Spectrometer Manufacturer Model Field Strength
NMR Refinement
Method Details Software
simulated annealing ? 1
NMR Ensemble Information
Conformer Selection Criteria structures with the least restraint violations
Conformers Calculated Total Number 250
Conformers Submitted Total Number 20
Representative Model 1 (closest to the average)
Computation: NMR Software
# Classification Version Software Name Author
1 refinement 1.2 CNS Brunger, Adams, Clore, Gros, Nilges and Read
2 structure calculation 2.3.1 ARIA Linge, O'Donoghue and Nilges
3 chemical shift assignment 2.4.1 CcpNmr Analysis CCPN
4 peak picking 2.4.1 CcpNmr Analysis CCPN
5 collection 3.5 TopSpin Bruker Biospin
6 collection 4 VNMR Varian
7 processing 9.5 NMRDraw Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
8 processing 9.5 NMRPipe Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
Feedback Form
Name
Email
Institute
Feedback