SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D_NOESY | 10 mM sodium phosphate, 300 mM sodium chloride, 5 mM sodium azide, pH 6 | 90% H2O/10% D2O | 300 mM NaCl | 6.0 | ambient | 303 | |
| 2 | 3D_13C-separated_NOESY | 10 mM sodium phosphate, 300 mM sodium chloride, 5 mM sodium azide, pH 6 | 90% H2O/10% D2O | 300 mM NaCl | 6.0 | ambient | 303 | |
| 3 | 3D_15N-separated_NOESY | 10 mM sodium phosphate, 300 mM sodium chloride, 5 mM sodium azide, pH 6 | 90% H2O/10% D2O | 300 mM NaCl | 6.0 | ambient | 303 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | INOVA | 500 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing | 943 NOE-derived distances restraints, 88 dihedral angle restraints, 39 hydrogen bond restraints | X-PLOR |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with acceptable covalent geometry |
| Conformers Calculated Total Number | 240 |
| Conformers Submitted Total Number | 10 |
| Representative Model | 1 (lowest energy) |
| Additional NMR Experimental Information | |
|---|---|
| Details | This structure was determined using standard NMR techniques. |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | X-PLOR | 3.1 | Brunger |














