2L9E
Solution Structure of the human Anti-codon Stem and loop(hASL) of transfer RNA Lysine 3 (tRNALys3)
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D 1H-1H NOESY | 1.50 mM RNA (5'-R(*GP*CP*AP*GP*AP*CP*UP*(70U)P*UP*UP*(12A)P*AP*UP*CP*UP*GP*C)-3') | 90% H2O/10% D2O | unknown | 6.2 | ambient | 275 | |
| 2 | 2D 1H-1H TOCSY | 1.50 mM RNA (5'-R(*GP*CP*AP*GP*AP*CP*UP*(70U)P*UP*UP*(12A)P*AP*UP*CP*UP*GP*C)-3') | 90% H2O/10% D2O | unknown | 6.2 | ambient | 295 | |
| 3 | 2D 1H-1H COSY | 1.50 mM RNA (5'-R(*GP*CP*AP*GP*AP*CP*UP*(70U)P*UP*UP*(12A)P*AP*UP*CP*UP*GP*C)-3') | 100% D2O | unknown | 6.2 | ambient | 295 | |
| 4 | 2D DQF-COSY | 1.50 mM RNA (5'-R(*GP*CP*AP*GP*AP*CP*UP*(70U)P*UP*UP*(12A)P*AP*UP*CP*UP*GP*C)-3') | 100% D2O | unknown | 6.2 | ambient | 295 | |
| 5 | 2D 1H-1H NOESY | 1.50 mM RNA (5'-R(*GP*CP*AP*GP*AP*CP*UP*(70U)P*UP*UP*(12A)P*AP*UP*CP*UP*GP*C)-3') | 100% D2O | unknown | 6.2 | ambient | 295 | |
| 6 | 2D 1H-1H TOCSY | 1.50 mM RNA (5'-R(*GP*CP*AP*GP*AP*CP*UP*(70U)P*UP*UP*(12A)P*AP*UP*CP*UP*GP*C)-3') | 100% D2O | unknown | 6.2 | ambient | 295 | |
| 7 | 2D 1H-13C HSQC | 1.50 mM RNA (5'-R(*GP*CP*AP*GP*AP*CP*UP*(70U)P*UP*UP*(12A)P*AP*UP*CP*UP*GP*C)-3') | 100% D2O | unknown | 6.2 | ambient | 295 | |
| 8 | 2D 1H-31P HETCOR | 1.50 mM RNA (5'-R(*GP*CP*AP*GP*AP*CP*UP*(70U)P*UP*UP*(12A)P*AP*UP*CP*UP*GP*C)-3') | 100% D2O | unknown | 6.2 | ambient | 295 | |
| 9 | 2D 1H-1H NOESY | 1.50 mM RNA (5'-R(*GP*CP*AP*GP*AP*CP*UP*(70U)P*UP*UP*(12A)P*AP*UP*CP*UP*GP*C)-3') | 90% H2O/10% D2O | unknown | 6.2 | ambient | 295 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | DRX | 500 |
| 2 | Varian | UNITY | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| torsion angle dynamics | XwinNMR | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the lowest energy |
| Conformers Calculated Total Number | 80 |
| Conformers Submitted Total Number | 11 |
| Representative Model | 1 (minimized average structure) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | collection | XwinNMR | Bruker Biospin | |
| 2 | processing | XwinNMR | Bruker Biospin | |
| 3 | processing | NMRPipe | Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax | |
| 4 | data analysis | Sparky | Goddard | |
| 5 | chemical shift assignment | Sparky | Goddard | |
| 6 | peak picking | Sparky | Goddard | |
| 7 | geometry optimization | CNS | Brunger, Adams, Clore, Gros, Nilges and Read | |
| 8 | structure solution | CNS | Brunger, Adams, Clore, Gros, Nilges and Read | |
| 9 | refinement | CNS | Brunger, Adams, Clore, Gros, Nilges and Read | |
