SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D DQF-COSY | 6.0 | 288 | |||||
| 2 | TOCSY | 6.0 | 288 | |||||
| 3 | NOESY | 6.0 | 288 | |||||
| 4 | 2D 1H/13C HMQC | 6.0 | 288 | |||||
| 5 | 2D F2 12C-FILTERED TOCSY | 6.0 | 288 | |||||
| 6 | 3D 1H/13C HMQC-NOESY | 6.0 | 288 | |||||
| 7 | HCCH-COSY | 6.0 | 288 | |||||
| 8 | HCCH-TOCSY | 6.0 | 288 | |||||
| 9 | 3D 1H/15N NOESY-HSQC | 6.0 | 288 | |||||
| 10 | NOESY-HMQC | 6.0 | 288 | |||||
| 11 | HNHA | 6.0 | 288 | |||||
| 12 | HNHB | 6.0 | 288 | |||||
| 13 | HMQC-NOESY-HMQC | 6.0 | 288 | |||||
| 14 | ROESY-HMQC | 6.0 | 288 | |||||
| 15 | TOCSY-HMQC | 6.0 | 288 | |||||
| 16 | 3D-1H/15N/13C CBCANH | 6.0 | 288 | |||||
| 17 | CBCA(CO)NH | 6.0 | 288 | |||||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | UNITY | 600 |
| 2 | Varian | UNITY | 500 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing | DYANA | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | NO DISTANCE CONSTRAINT ORVAN DER WAALS VIOLATIONS >0.5A,NO DIHEDRAL ANGLE CONSTRAINT VIOLATIONS >6 DEGREES |
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 32 |
| Additional NMR Experimental Information | |
|---|---|
| Details | THE STRUCTURES WERE DETERMINED USING DOUBLE AND TRIPLE RESONANCE NMR SPECTROSCOPY ON 13C/15N AND 15N LABELED B-MYB. |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | structure solution | DYANA | ||
| 2 | refinement | DYANA | ||
