1KEF
PDZ1 of SAP90
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D NOESY | 1.0 mM protein, pH 6.8 | 10 mM phosphate buffer, 150 mM NaCl | 150 mM NaCl | 6.8 | 1 atm | 308 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AVANCE | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing with torsion angle restraints | NMRPipe | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | average structure from ensemble of 28 structures, chosen by energy and penalty function |
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 1 |
| Representative Model | 1 (closest to the average) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | data analysis | NMRPipe | 3.0 | Delaglio F. |
| 2 | refinement | X-PLOR | CNS | Bruenger, A. |
