SOLUTION NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
1 1H-15N HSQC 500 MM NACL, 50 MM NAH2PO4, AND 90% H2O/10% D2O PH 5.7 ? 5.7 ? 318.0
2 HNCACB 500 MM NACL, 50 MM NAH2PO4, AND 90% H2O/10% D2O PH 5.7 ? 5.7 ? 318.0
3 CBCA(CO) NH 500 MM NACL, 50 MM NAH2PO4, AND 90% H2O/10% D2O PH 5.7 ? 5.7 ? 318.0
4 C(CO)NH 500 MM NACL, 50 MM NAH2PO4, AND 90% H2O/10% D2O PH 5.7 ? 5.7 ? 318.0
5 HBHA(CO)NH 500 MM NACL, 50 MM NAH2PO4, AND 90% H2O/10% D2O PH 5.7 ? 5.7 ? 318.0
6 HC(CO)NH 500 MM NACL, 50 MM NAH2PO4, AND 90% H2O/10% D2O PH 5.7 ? 5.7 ? 318.0
7 1H NOESY 500 MM NACL, 50 MM NAH2PO4, AND 90% H2O/10% D2O PH 5.7 ? 5.7 ? 318.0
NMR Spectrometer Information
Spectrometer Manufacturer Model Field Strength
1 Bruker DMX 600
NMR Refinement
Method Details Software
CNS-XPLOR REFINEMENT DETAILS CAN BE FOUND IN THE JRNL CITATION ABOVE. THE 20 MODELS IN THE DEPOSITED CO-ORDINATE FILE HAVE SUPERIMPOSED C-ALPHA TRACES OF ONLY THE SECONDARY STRUCTURE FORMING RESIDUES. THIS IS BECAUSE IT IS MORE INFORMATIVE TO ALIGN ONLY THE STABLE SEGMENTS THAN COMPLETE BACKBONES OF APO-L75F-TRPR PROTEIN DUE TO ITS FLEXIBLE NATURE. 1
NMR Ensemble Information
Conformer Selection Criteria LEAST RESTRAINT VIOLATION
Conformers Calculated Total Number 40
Conformers Submitted Total Number 20
Representative Model 1 (?)
Computation: NMR Software
# Classification Version Software Name Author
1 refinement ? CNS BRUNGER,ADAMS,CLORE,DELANO,GROS, GROSSE-KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,READ,RICE,SIMONSON,WARREN
2 structure solution ? NMRView ?
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