1GD3
refined solution structure of human cystatin A
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D_13C-separated_NOESY | 1.4mM cystatin A U-15N,13C; 10mM Acetate buffer NA; 95% H2O, 5% D2O | 95% H2O/5% D2O | 0 | 4.0 | ambient | 310 | |
| 2 | 3D_15N-separated_NOESY | 1.4mM cystatin A U-15N; 10mM Acetate buffer NA; 95% H2O, 5% D2O | 95% H2O/5% D2O | 0 | 4.0 | ambient | 310 | |
| 3 | 2D NOESY | 1.4mM cystatin A; 10mM Acetate buffer NA; 98% D2O | 98% D2O | 0 | 4.0 | ambient | 310 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | DRX | 800 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| distance geometry, simulated annealing | X-PLOR | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | |
| Conformers Calculated Total Number | |
| Conformers Submitted Total Number | 1 |
| Additional NMR Experimental Information | |
|---|---|
| Details | The structure was determined using triple-resonance NMR spectroscopy. |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | X-PLOR | 3.85 | |
