1TP4
Solution structure of the XPC binding domain of hHR23A protein
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D_13C-separated_NOESY | 1mM XPCB U-15N,13C, 20mM sodium phosphate, 122mM sodium chloride, 0.05% sodium azide | 95% H2O/5% D2O | 20mM sodium phosphate, 122mM sodium chloride, 0.05% sodium azide | 7.3 | ambient | 298 | |
| 2 | 3D_15N-separated_NOESY | 1mM XPCB U-15N,13C, 20mM sodium phosphate, 122mM sodium chloride, 0.05% sodium azide | 95% H2O/5% D2O | 20mM sodium phosphate, 122mM sodium chloride, 0.05% sodium azide | 7.3 | ambient | 298 | |
| 3 | E-COSY | 1mM XPCB U-15N,13C, 20mM sodium phosphate, 122mM sodium chloride, 0.05% sodium azide | 95% H2O/5% D2O | 20mM sodium phosphate, 122mM sodium chloride, 0.05% sodium azide | 7.3 | ambient | 298 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | DRX | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| distance geometry | The structures are based on a total of 917 non-redundant NOE-derived distance constraints, 82 dihedral angle restraints and 42 distance restraints from hydrogen bonds. | XwinNMR |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the lowest energy |
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 25 |
| Representative Model | 1 (lowest energy) |
| Additional NMR Experimental Information | |
|---|---|
| Details | The structure was determined using triple-resonance NMR spectroscopy. |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | collection | XwinNMR | 2.6 | |
| 2 | data analysis | Felix | 2000 | |
| 3 | structure solution | X-PLOR | 3.1 | |
| 4 | refinement | X-PLOR | 3.1 | |
