2A29
The solution structure of the AMP-PNP bound nucleotide binding domain of KdpB
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D_15N-SEPARATED_NOESY | 1.0MM U-15N, 13C KDPBN, 50MM PHOSPHATE BUFFER, 100MM NACL, 0.05% SODIUM AZIDE, 15MM ATP- PNP; 1.0MM U-15N KDPBN, 50MM PHOSPHATE BUFFER, 100MM NACL, 0.05% SODIUM AZIDE, 15MM AMP- PNP | 100mM NACL | 6.0 | AMBIENT | 300 | ||
| 2 | CNH- NOESY | 1.0MM U-15N, 13C KDPBN, 50MM PHOSPHATE BUFFER, 100MM NACL, 0.05% SODIUM AZIDE, 15MM ATP- PNP; 1.0MM U-15N KDPBN, 50MM PHOSPHATE BUFFER, 100MM NACL, 0.05% SODIUM AZIDE, 15MM AMP- PNP | 100mM NACL | 6.0 | AMBIENT | 300 | ||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | DMX | 900 |
| 2 | Bruker | DMX | 750 |
| 3 | Bruker | DMX | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing | BASED ON A TOTAL OF 1667 NOE-BASED DISTANCE RESTRAINTS, 230 DIHEDRAL ANGLE RESTRAINTS AND 21 INTERMOLECULAR DISTANCE RESTRAINTS | X-PLOR |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | |
| Conformers Calculated Total Number | |
| Conformers Submitted Total Number | 1 |
| Representative Model | (minimized average structure) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | X-PLOR | NIH-2.9.3 | BRUNGER |
| 2 | structure solution | XwinNMR | 3.5 | Bruker |
| 3 | structure solution | X-PLOR | NIH-2.9.3 | Brunger |
| 4 | data analysis | Sparky | 3.110 | Goddard, Kneller |
