5KJ3
Connexin 26 WT peptide NMR Structure
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D 1H-1H TOCSY | 1.0 mM ACE-MET-ASP-TRP-GLY-THR-LEU-GLN-THR-ILE-LEU-GLY-GLY-VAL-ASN-LYS-HIS-SER-THR-SER-ILE-GLY-LYS, 100 mM KCl, 100 uM TSP | 90% H2O/10% D2O | 0.1 M | 7.0 | 1 atm | 288 | Varian INOVA 600 |
| 2 | 2D 1H-1H NOESY | 1.0 mM ACE-MET-ASP-TRP-GLY-THR-LEU-GLN-THR-ILE-LEU-GLY-GLY-VAL-ASN-LYS-HIS-SER-THR-SER-ILE-GLY-LYS, 100 mM KCl, 100 uM TSP | 90% H2O/10% D2O | 0.1 M | 7.0 | 1 atm | 288 | Varian INOVA 600 |
| 3 | 2D 1H-13C HSQC | 1.0 mM ACE-MET-ASP-TRP-GLY-THR-LEU-GLN-THR-ILE-LEU-GLY-GLY-VAL-ASN-LYS-HIS-SER-THR-SER-ILE-GLY-LYS, 100 mM KCl, 100 uM TSP | 90% H2O/10% D2O | 0.1 M | 7.0 | 1 atm | 288 | Varian INOVA 600 |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | INOVA | 600 |
| 2 | Varian | INOVA | 600 |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | |
| Conformers Calculated Total Number | |
| Conformers Submitted Total Number | 20 |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | collection | VNMR | Varian | |
| 2 | processing | NMRPipe | Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax | |
| 3 | chemical shift assignment | NMRView | Johnson, One Moon Scientific | |
| 4 | structure calculation | CNS | Brunger, Adams, Clore, Gros, Nilges and Read | |
| 5 | refinement | CNS | Brunger, Adams, Clore, Gros, Nilges and Read | |
