1L3E
NMR Structures of the HIF-1alpha CTAD/p300 CH1 Complex
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D_15N-separated_NOESY | 1mM CTAD/CH1 complex U-15N; 0.1mM ZnSO4; 1mM DTT | 90% D2O, 10% H2O | 100 mM NaCl | 6.0 | ambient | 298 | |
| 2 | 2D_NOESY | 1mM CTAD/CH1 complex; 0.1mM ZnSO4; 1mM DTT | 99.9% D2O | 100 mM NaCl | 6.0 | ambient | 298 | |
| 3 | 3D_13C-separated_NOESY | 1mM CTAD/CH1 complex U-15N,13C; 0.1mM ZnSO4; 1mM DTT | 99.9% D2O | 100 mM NaCl | 6.0 | ambient | 298 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AVANCE | 500 |
| 2 | Varian | UNITY | 500 |
| 3 | Varian | INOVA | 750 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| distance geometry, simulated annealing | the structures are based on a total of 1378 restraints; 1126 are NOE-derived distance restraints (including 1013 intramolecular, 113 intermolecular), 158 dihedral angle restraints, and 94 hydrogen bond restraints | XwinNMR |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the least restraint violations,structures with the lowest energy |
| Conformers Calculated Total Number | 25 |
| Conformers Submitted Total Number | 17 |
| Representative Model | 1 (lowest energy) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | collection | XwinNMR | 2.5 | Bruker |
| 2 | collection | VNMR | 5.3 | Varian |
| 3 | processing | PROSA | 3.7 | Guntert |
| 4 | data analysis | XEASY | 1.3.13 | Bartels |
| 5 | structure solution | DYANA | 1.4 | Guntert |
| 6 | refinement | X-PLOR | 3.1 | Brunger |
