1X5V
NMR Structure of PcFK1
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | DQF-COSY | 1mM | 90% H2O/10% D2O | 3 | 1 atm | 290 | ||
| 2 | 2D TOCSY | 1mM | 90% H2O/10% D2O | 3 | 1 atm | 290 | ||
| 3 | 2D NOESY | 1mM | 90% H2O/10% D2O | 3 | 1 atm | 300 | ||
| 4 | DQF-COSY | 1mM | 90% H2O/10% D2O | 3 | 1 atm | 300 | ||
| 5 | 2D TOCSY | 1mM | 90% H2O/10% D2O | 3 | 1 atm | 300 | ||
| 6 | 2D NOESY | 1mM | 90% H2O/10% D2O | 3 | 1 atm | 300 | ||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | DRX | 500 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| molecular dynamics based simulated annealing | XwinNMR | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the lowest energy, structures with the least restraint violations |
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 25 |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | processing | XwinNMR | 2.1 | Bruker biospin |
| 2 | structure solution | ARIA | 1.2 | Jens Linge |
| 3 | refinement | ARIA | 1.2 | Jens Linge |
