2H3O
Structure of MERFT, a membrane protein with two trans-membrane helices
SOLID-STATE NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | PISEMA | 6 mM MerFt aligned in large 14-O-PC/6-O-PC phospholipid bicelles, 28% (w/v) in H2O | H2O | 5 | ambient | 313 | ||
| 2 | SAMMY | 6 mM MerFt aligned in large 14-O-PC/6-O-PC phospholipid bicelles, 28% (w/v) in H2O | H2O | 5 | ambient | 313 | ||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AVANCE | 700 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| DIRECT STRUCTURAL FITTING OF 2D SOLID-STATE NMR DATA | This structure was calculated by using a structural fitting algorithm that finds torsion angles between consecutive residues based on their 15N chemical shift, 1H-15N dipolar coupling frequencies and Ramachandran maps. One hydrophobic matching and one loose helix-helix distance restraints were used | NMRPipe |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the least restraint violations |
| Conformers Calculated Total Number | 20 |
| Conformers Submitted Total Number | 1 |
| Additional NMR Experimental Information | |
|---|---|
| Details | 15N chemical shifts and 1H-15N dipolar couplings were measured by solid-state NMR |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | data analysis | NMRPipe | 2.3 | Delaglio, F et al. |
| 2 | data analysis | Sparky | 3.11 | Goddard, T.D. et al. |
| 3 | refinement | Structural Fitting | 2.0 | Nevzorov, A.A and Opella, S.J. |
