1NCV
DETERMINATION CC-CHEMOKINE MCP-3, NMR, 7 STRUCTURES
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | NOESY | 5.0 | 290 | |||||
| 2 | CLTOCSY | 5.0 | 290 | |||||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AMX500 | 500 |
| 2 | Bruker | DMX600 | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| DISTANCE GEOMETRY SIMULATED ANNEALING | X-PLOR | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | NOE VIOLATION |
| Conformers Calculated Total Number | 50 |
| Conformers Submitted Total Number | 7 |
| Additional NMR Experimental Information | |
|---|---|
| Details | THE STRUCTURE WAS DETERMINED BY STANDARD 1H 2D NMR EXPERIMENTS |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | X-PLOR | BRUNGER | |
| 2 | structure solution | DIANA | ||
| 3 | structure solution | XPLOR | ||
