SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer | 
| 1 | 3D_13C-separated_NOESY | 1.0mM 13C, 15N-labeled protein; 20mM d-Tris-HCl (pH 7.0); 100mM NaCl; 1mM d-DTT; 0.02% NaN3; 90% H2O, 10% D2O | 90% H2O/10% D2O | 120mM | 7.0 | ambient | 298 | |
| 2 | 3D_15N-separated_NOESY | 1.0mM 13C, 15N-labeled protein; 20mM d-Tris-HCl (pH 7.0); 100mM NaCl; 1mM d-DTT; 0.02% NaN3; 90% H2O, 10% D2O | 90% H2O/10% D2O | 120mM | 7.0 | ambient | 298 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength | 
| 1 | Bruker | AVANCE | 800 | 
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software | 
| torsion angle dynamics | XwinNMR | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the least restraint violations, target function | 
| Conformers Calculated Total Number | 100 | 
| Conformers Submitted Total Number | 20 | 
| Representative Model | 1 (lowest energy) | 
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author | 
| 1 | collection | XwinNMR | 3.5 | Bruker | 
| 2 | processing | NMRPipe | 20030801 | Delaglio, F. | 
| 3 | data analysis | NMRView | 5.0.4 | Johnson, B.A. | 
| 4 | data analysis | KUJIRA | 0.9820 | Kobayashi, N. | 
| 5 | structure solution | CYANA | 2.0.17 | Guntert, P. | 
| 6 | refinement | CYANA | 2.0.17 | Guntert, P. | 














