1RY4
NMR Structure of the CRIB-PDZ module of Par-6
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D_13C-separated_NOESY | 1mM Par-6 U-15C,13C, 20mM phosphate buffer, 0.05% sodium azide | 90% H2O/10% D2O | 50mM sodium chloride | 5.5 | ambient | 303 | |
| 2 | 3D_15N-separated_NOESY | 0.5mM Par-6 U-15, 20mM phosphate buffer, 0.05% sodium azide | 90% H2O/10% D2O | 50mM sodium chloride | 5.5 | ambient | 303 | |
| 3 | 3D_13C-separated_aromatic_NOESY | 1mM Par-6 U-15C,13C, 20mM phosphate buffer, 0.05% sodium azide | 90% H2O/10% D2O | 50mM sodium chloride | 5.5 | ambient | 303 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AVANCE | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| torsion angle dynamics | the structures are based on a total of 1703 restraints, 1564 are NOE-derived distance constraints, 139 dihedral angle restraints. | XwinNMR |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | target function |
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 20 |
| Representative Model | 3 (closest to the average) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | collection | XwinNMR | 3.1 | Bruker Instruments |
| 2 | processing | NMRPipe | 97.027.12.56 | Frank Delaglio |
| 3 | data analysis | XEASY | 1.3.13 | Christian Bartels |
| 4 | data analysis | GARANT | 2.1 | Christian Bartels |
| 5 | structure solution | CYANA | 1.0.6 | Peter Guntert |
| 6 | refinement | XPLOR-NIH | 2.0.6 | Axel Brunger and Marius Clore |
