1UM7
Solution structure of the third PDZ domain of synapse-associated protein 102
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D_13C-separated_NOESY | 1.05mM 13C, 15N-labeled protein; 20mM phosphate buffer; 100mM NaCl; 1mM d10-DTT; 0.02% NaN3 | 90% H2O/10% D2O | 120mM | 6.0 | ambient | 298 | |
| 2 | 3D_15N-separated_NOESY | 1.05mM 13C, 15N-labeled protein; 20mM phosphate buffer; 100mM NaCl; 1mM d10-DTT; 0.02% NaN3 | 90% H2O/10% D2O | 120mM | 6.0 | ambient | 298 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | INOVA | 800 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| torsion angle dynamics | VNMR | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the least restraint violations, target function |
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 20 |
| Representative Model | 1 (lowest energy) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | collection | VNMR | 6.1C | varian |
| 2 | processing | NMRPipe | 20020425 | Delaglio. F. |
| 3 | data analysis | NMRView | 5.0.4 | Johnson, B.A. |
| 4 | data analysis | KUJIRA | 0.854 | Kobayashi, N. |
| 5 | refinement | CYANA | 1.0.7 | Guentert, P. |
