2D8M
Solution structure of the first BRCT domain of DNA-repair protein XRCC1
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D_13C-separated_NOESY | 0.89mM BRCT domain U-15N,13C; 20mM TrisHCl, 100mM NaCl, 1mM DTT, 0.02% NaN3; 90% H2O, 10% D2O | 90% H2O/10% D2O | 120mM | 7.0 | ambient | 293 | |
| 2 | 3D_15N-separated_NOESY | 0.89mM BRCT domain U-15N,13C; 20mM TrisHCl, 100mM NaCl, 1mM DTT, 0.02% NaN3; 90% H2O, 10% D2O | 90% H2O/10% D2O | 120mM | 7.0 | ambient | 293 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | INOVA | 900 |
| 2 | Varian | INOVA | 800 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| torsion angle dynamics | VNMR | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | target function,structures with the lowest energy |
| 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 | 0.901 | Kobayashi, N. |
| 5 | structure solution | CYANA | 2.0.17 | Guntert, P. |
| 6 | refinement | CYANA | 2.0.17 | Guntert, P. |
