1RJJ
Solution structure of a homodimeric hypothetical protein, At5g22580, a structural genomics target from Arabidopsis thaliana
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D_13C-separated_NOESY | 50mM | 6.5 | ambient | 298 | |||
| 2 | 3D_15N-separated_NOESY | 50mM | 6.5 | ambient | 298 | |||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AVANCE | 750 |
| 2 | Bruker | AVANCE | 500 |
| 3 | Varian | INOVA | 600 |
| 4 | Varian | INOVA | 800 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing torsion angle dynamics | XWINNMR, VNMR | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | 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 | XWINNMR, VNMR | ||
| 2 | data analysis | NMRDraw, PIPP | ||
| 3 | processing | NMRPipe | ||
| 4 | structure solution | XPLOR-NIH | Schwieters, Kuszewski, Tjandra, Clore | |
| 5 | refinement | XPLOR-NIH | Schwieters, Kuszewski, Tjandra, Clore | |
