2CW1
Solution structure of the de novo-designed lambda Cro fold protein
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D_15N-separated_NOESY | 0.8mM SN4m U-15N,13C; 10mM sodium phosphate buffer (pH 7.0) containing 200mM NaCl; 90% H2O, 10% D2O | 90% H2O/10% D2O | 200mM NaCl | 7.0 | 1 atm | 303 | |
| 2 | 3D_13C-separated_NOESY | 0.8mM SN4m U-15N,13C; 10mM sodium phosphate buffer (pH 7.0) containing 200mM NaCl; 90% H2O, 10% D2O | 90% H2O/10% D2O | 200mM NaCl | 7.0 | 1 atm | 303 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | DRX | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing | XwinNMR | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the lowest energy |
| Conformers Calculated Total Number | 80 |
| Conformers Submitted Total Number | 10 |
| Representative Model | 1 (lowest energy) |
| Additional NMR Experimental Information | |
|---|---|
| Details | The structure was determined using triple-resonance NMR spectroscopy. |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | collection | XwinNMR | 2.6 | Bruker |
| 2 | processing | Azara | 2.7 | Boucher |
| 3 | data analysis | ANSIG | 3.3 | Kraulis |
| 4 | structure solution | CNS | 1.1 | Brunger |
| 5 | refinement | CNS | 1.1 | |
