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Solution NMR Structure of the Periplasmic Signaling Domain of the Outer Membrane Iron Transporter FecA from Escherichia coli.
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D NOESY | 1mM protein | 50mM NaPi | 50mM NaCl | 6 | 1 atm | 298 | |
| 2 | 3D_13C-separated_NOESY | 1mM protein | 50mM NaPi | 50mM NaCl | 6 | 1 atm | 298 | |
| 3 | 3D_15N-separated_NOESY | 1mM protein | 50mM NaPi | 50mM NaCl | 6 | 1 atm | 298 | |
| 4 | HNHA | 1mM protein | 50mM NaPi | 50mM NaCl | 6 | 1 atm | 298 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | INOVA | 500 |
| 2 | Varian | INOVA | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing | NMRPipe | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the lowest energy |
| Conformers Calculated Total Number | 1000 |
| Conformers Submitted Total Number | 20 |
| Representative Model | 1 (closest to average) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | processing | NMRPipe | 1.0 | Delaglio, F. et al |
| 2 | collection | VNMR | 6.1C | Varian |
| 3 | data analysis | NMRView | 5.2.2 | Johnson, B. et al |
| 4 | structure solution | ARIA | 1.2 | Nilges, M. and O'Donoghue, S.I. |
| 5 | refinement | ARIA | 1.2 | Nilges, M. and O'Donoghue, S.I. |
