2ORC
CRO REPRESSOR INSERTION MUTANT K56-[DGEVK], NMR, 32 STRUCTURES
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | NOESY | 4.6 | 298 | |||||
| 2 | COSY | 4.6 | 298 | |||||
| 3 | TOCSY | 4.6 | 298 | |||||
| 4 | HSQC-NOESY | 4.6 | 298 | |||||
| 5 | HSQC-TOCSY | 4.6 | 298 | |||||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | UNITY | 500 |
| 2 | Varian | UNITYPLUS | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| DISTANCE GEOMETRY/ SIMULATED ANNEALING | REFINEMENT DETAILS CAN BE FOUND IN THE JRNL REFERENCE. | X-PLOR |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | NO DISTANCE VIOLATION > 0.5A, NO DIHEDRAL VIOLATION > 5 DEGREES |
| Conformers Calculated Total Number | 50 |
| Conformers Submitted Total Number | 32 |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | X-PLOR | BRUNGER | |
| 2 | structure solution | X-PLOR | ||
