1Z8S
DnaB binding domain of DnaG (P16) from Bacillus stearothermophilus (residues 452-597)
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | simultaneously acquired 15N- and 13C-edited 3D NOESY | 1mM U-15N U13C P16 | 90% H2O/10% D2O | 20mM potassium phosphate, 200mM sodium chloride | 6.8 | ambient | 298 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | DRX | 500 |
| 2 | Bruker | DRX | 600 |
| 3 | Bruker | DRX | 800 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| torsion angle dynamics followed by cartesian slow-cool annealing energy minimisation | total of 1707 experimentally determined restraints, 1439 NOE-derived distance constraints, 200 dihedral angle restraints, 68 hydrogen bond distance restraints | XwinNMR |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the lowest energy |
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 10 |
| Representative Model | 1 (lowest energy) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | collection | XwinNMR | 3.5 | Bruker |
| 2 | processing | Felix | 2000 | Accelrys Inc., San Diego, CA |
| 3 | data analysis | Felix | 2000 | Accelrys Inc., San Diego, CA |
| 4 | structure solution | CNS | 1.1 | Brunger, et al. |
| 5 | refinement | CNS | 1.1 | Brunger, et al. |
