1U3K
The solution structure of a substrate of archaeal pre-tRNA splicing endonucleases
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | NOESY-HSQC | RNA molecule, 1-2mM in 80mM NaCl, 5mM phospate buffer pH 7 | D2O | 95mM | 7 | 1 atm | 303 | |
| 2 | HCCH-COSY | RNA molecule, 1-2mM in 80mM NaCl, 5mM phospate buffer pH 7 | D2O | 95mM | 7 | 1 atm | 303 | |
| 3 | HSQC | RNA molecule, 1-2mM in 80mM NaCl, 5mM phospate buffer pH 7 | D2O | 95mM | 7 | 1 atm | 303 | |
| 4 | etc | RNA molecule, 1-2mM in 80mM NaCl, 5mM phospate buffer pH 7 | D2O | 95mM | 7 | 1 atm | 303 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | UNITYPLUS | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| Torsion angle dynamics, molecular dynamics | CNS | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with acceptable covalent geometry, structures with the least restraint violations |
| Conformers Calculated Total Number | 65 |
| Conformers Submitted Total Number | 10 |
| Representative Model | 1 (minimized average structure) |
| Additional NMR Experimental Information | |
|---|---|
| Details | This structure was determined with residual dipolar coupling data |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | CNS | 1.0 | Brunger, Adams, Clore, Delano, Gros, Gross-Kunstleve, Jiang, Kuszewski, Nilges, Pannu, Read, Rice, Simonson, Warren |
| 2 | processing | Felix | 97 | Biosym |
| 3 | data analysis | Sparky | 3.0 | Goddard and Kneller |
