1BZU
STABILIZATION OF THE ANTICODON STEM-LOOP OF TRNALYS, 3 BY AN A+C BASE PAIR AND BY PSEUDOURIDINE, NMR, 1 STRUCTURE
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | NOESY | H2O/D2O | 100 mM NACL | 7 | 303 | |||
| 2 | ROESY | H2O/D2O | 100 mM NACL | 7 | 303 | |||
| 3 | TOCSY | H2O/D2O | 100 mM NACL | 7 | 303 | |||
| 4 | HMQC | H2O/D2O | 100 mM NACL | 7 | 303 | |||
| 5 | 1H-31P COSY | H2O/D2O | 100 mM NACL | 7 | 303 | |||
| 6 | 1H-31P HETERO-TOCSY-TOCSY | H2O/D2O | 100 mM NACL | 7 | 303 | |||
| 7 | DQCOSY | H2O/D2O | 100 mM NACL | 7 | 303 | |||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | UNITY 500 | 500 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| molecular dynamics | AMBER FORCEFIELD | Discover |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | LEAST RESTRAINT VIOLATION |
| Conformers Calculated Total Number | 32 |
| Conformers Submitted Total Number | 1 |
| Additional NMR Experimental Information | |
|---|---|
| Details | LOWEST RMSD DIFFERENCE FROM AVERAGE STRUCTURE. STRUCTURE WAS DETERMINED USING RESTRAINTS FROM HOMONUCLEAR ROESY, DQCOSY AND NOESY DATA. ASSIGNMENTS WERE MADE WITH A COMBINATION OF ROESY, NOESY, TOCSY, 1H-13C HMQC AND 1H-31P. |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | Discover | 95.0 | MSI |
| 2 | structure solution | VNMR | ||
| 3 | structure solution | Felix | ||
| 4 | structure solution | Discover | ||
