1WTS
HELIX 45 (16S RRNA) FROM B. STEAROTHERMOPHILUS, NMR, MINIMIZED AVERAGE STRUCTURE
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | NOESY | WATER | 50 mM NACL | 6.5 | 1 atm | 303 | ||
| 2 | COSY | WATER | 50 mM NACL | 6.5 | 1 atm | 303 | ||
| 3 | 1H-31P HCOSY | WATER | 50 mM NACL | 6.5 | 1 atm | 303 | ||
| 4 | 1H-31P HTOCSY | WATER | 50 mM NACL | 6.5 | 1 atm | 303 | ||
| 5 | 1H-31P HTOCSY-NOESY | WATER | 50 mM NACL | 6.5 | 1 atm | 303 | ||
| 6 | 1H-13C HMQC | WATER | 50 mM NACL | 6.5 | 1 atm | 303 | ||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | UNITY 500 | 500 |
| 2 | GE | UNITYPLUS 600 | 600 |
| 3 | GE | OMEGA 500 | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| TORSIONAL ANGLE MOLECULAR DYNAMICS, MOLECULAR DYNAMICS | X-PLOR | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | NO RESTRAINT VIOLATION |
| Conformers Calculated Total Number | 1 |
| Conformers Submitted Total Number | 1 |
| Representative Model | 1 (n/a) |
| Additional NMR Experimental Information | |
|---|---|
| Details | THIS REPRESENTATIVE MODEL WAS DETERMINED WITH A VARIETY OF TWO-DIMENSIONAL HOMONUCLEAR AND HETERONUCLEAR NMR SPECTROSCOPY ON AN UNLABELED MOLECULE. |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | X-PLOR | BRUNGER | |
| 2 | structure solution | X-PLOR | ||
