2JYP
Coordinates for lowest energy structure of Aragonite protein-7, C-terminal domain
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D 1H-1H NOESY | 450 uM AP7C, 50 uM DTT | 90% H2O/10% D2O | 7.5 | ambient | 293 | ||
| 2 | 2D 1H-1H TOCSY | 450 uM AP7C, 50 uM DTT | 90% H2O/10% D2O | 7.5 | ambient | 293 | ||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | INOVA | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing, molecular dynamics | NMRPipe | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the least restraint violations |
| Conformers Calculated Total Number | 1000 |
| Conformers Submitted Total Number | 1 |
| Representative Model | 1 (minimized average structure) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | chemical shift assignment | NMRPipe | Delaglio, F. et al. | |
| 2 | processing | NMRPipe | Delaglio, F. et al. | |
| 3 | data analysis | NMRPipe | Delaglio, F. et al. | |
