2AYZ
Solution structure of the E.coli RcsC C-terminus (residues 817-949) containing phosphoreceiver domain
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D_15N-separated_NOESY | 1mM C-RcsC U-15N; 33mM Tris-HCl; 125 mM NaCl; 1mM TCEP; 95% H2O, 5% D2O | 95% H2O/5% D2O | 7.5 | 1 atm | 296 | ||
| 2 | 3D_13C-separated_NOESY | 1mM C-RcsC U-15N, 13C; 33mM Tris-HCl; 125mM NaCl; 1mM TCEP; 95% H2O, 5% D2O | 95% H2O/5% D2O | 7.5 | 1 atm | 296 | ||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | DRX | 600 |
| 2 | Bruker | AVANCE | 700 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| Energy minimization | XwinNMR | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the lowest energy |
| Conformers Calculated Total Number | 50 |
| Conformers Submitted Total Number | 25 |
| Representative Model | 1 (lowest energy and fewest violation) |
| Additional NMR Experimental Information | |
|---|---|
| Details | The 3D_13C-Separated_NOESY was recorded in three modifications |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | collection | XwinNMR | 2.6 | BRUKER |
| 2 | processing | XwinNMR | 2.6 | BRUKER |
| 3 | data analysis | AURELIA | 2.7.5 | BRUKER |
| 4 | data analysis | Sparky | 3.111 | Goddard and Kneller |
| 5 | structure solution | DYANA | 1.5 | Guentert |
| 6 | refinement | CNS | 1.1 | |
