SOLUTION STRUCTURE OF THE RNA-BINDING DOMAIN OF THE ANTITERMINATOR PROTEIN SACY, NMR, 10 STRUCTURES
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | NOESY | 6 | 297 | |||||
| 2 | TOCSY | 6 | 297 | |||||
| 3 | COSY | 6 | 297 | |||||
| 4 | HSQC | 6 | 297 | |||||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AMX600 | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing | THE MONOMERIC UNIT WAS MODELLED FIRST USING SAFE NOE WITH THE DG-SA PROTOCOL PROVIDED WITH X-PLOR. THE DIMER WAS THEN GENERATED BY ADDING EXTRA INTERMOLECULAR CONSTRAINTS PLUS A LIST OF AMBIGUOUS (INTER OR INTRA MOLECULAR) RESTRAINTS USING THE PROTOCOL DESCRIBED IN NILGES (1993), PROTEINS 17, 297-309. | X-PLOR |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | RESTRAINT ENERGY VIOLATION WITHIN 30% OF THE CONFORMER OF LOWER ENERGY VIOLATION. 28 CONFORMERS SATISFIED THE CRITERIA, ONLY 10 ARE SHOWN. |
| Conformers Calculated Total Number | 40 |
| Conformers Submitted Total Number | 10 |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | X-PLOR | 3.1 | BRUNGER |
| 2 | structure solution | X-PLOR | 3.1 | |
