1SDF
SOLUTION STRUCTURE OF STROMAL CELL-DERIVED FACTOR-1 (SDF-1), NMR, MINIMIZED AVERAGE STRUCTURE
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | COSY | 4.9 | 303 | |||||
| 2 | NOESY | 4.9 | 303 | |||||
| 3 | TOCSY | 4.9 | 303 | |||||
| 4 | 13C-HSQC | 4.9 | 303 | |||||
| 5 | 13C EDITED HMQC-NOESY | 4.9 | 303 | |||||
| 6 | 15N-HSQC | 4.9 | 303 | |||||
| 7 | 3D 15N-EDITED NOESY-HSQC | 4.9 | 303 | |||||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | VARIAN INOVA | 500 |
| 2 | Varian | UNITY | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing | STRUCTURES WERE REFINED WITH MULTIPLE ROUNDS OF SIMULATED ANNEALING, WITH THE ADDITION OF NEW NOES AND CORRECTION OF AMBIGUOUS NOES. DETAILS OF THE NUMBER OF RESTRAINTS ETC. CAN BE FOUND IN THE JRNL CITATION ABOVE. | X-PLOR |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | AVERAGE STRUCTURE |
| Conformers Calculated Total Number | 30 |
| Conformers Submitted Total Number | 1 |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | X-PLOR | 3.1 | BRUNGER |
| 2 | structure solution | X-PLOR | ||
