2MHL
NMR solution Structure of the E.coli Outer Membrane Protein W
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | NOESY/HNCA/HNCACB | 1.2 mM [U-13C; U-15N; U-2H] Outer Membrane Protein W | 90% H2O/10% D2O | 10 mM NaCl | 6.8 | ambient | 308 | |
| 2 | HNCO/HNCOCA/HNCACO | 1.2 mM [U-13C; U-15N; U-2H] Outer Membrane Protein W | 90% H2O/10% D2O | 10 mM NaCl | 6.8 | ambient | 308 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AVANCE | 600 |
| 2 | Bruker | AVANCE | 800 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing | CYANA | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | 20 structures for lowest target function |
| Conformers Calculated Total Number | 200 |
| Conformers Submitted Total Number | 20 |
| Representative Model | 1 (lowest target function) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | CYANA | G??ntert P. | |
