1CEE
SOLUTION STRUCTURE OF CDC42 IN COMPLEX WITH THE GTPASE BINDING DOMAIN OF WASP
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | NOESY TOCSY 2D AND 3D THROUGH BOND TRANSFER EXPERIMENTS | 50mM | 7.0 | 1 atm | 298 | |||
| 2 | 13C/15N PURGED NOESY | 50mM | 7.0 | 1 atm | 298 | |||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | UNITY INOVA | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| SIMULATED ANNEALING, TORSION ANGLE DYNAMICS | X-PLOR 3.851 WAS USED IN COMBINATION WITH ARIA (REF. M. NILGES) | CNS |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | LEAST RESTRAINT VIOLATION |
| Conformers Calculated Total Number | 80 |
| Conformers Submitted Total Number | 20 |
| Additional NMR Experimental Information | |
|---|---|
| Details | THE STRUCTURE WAS DETERMINED USING A COMBINATION OF TRIPLE- AND QUADRUPLE- RESONANCE NMR EXPERIMENTS ON 13C/ 15N AND PARTIALLY OR FULLY DEUTERATED SAMPLES WITH SELECTIVE METHYL LABELING AT VALINE,LUECINE AND ISOLEUCINES. |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | CNS | 0.3 | A.BRUNGER, M.NILGES |
| 2 | structure solution | NMRPipe | ||
| 3 | structure solution | NMRView | ||
| 4 | structure solution | ARIA | ||
| 5 | structure solution | X-PLOR | ||
| 6 | structure solution | CNS | ||
| 7 | refinement | X-PLOR | 3.1 | BRUNGER |
