1VRY
Second and Third Transmembrane Domains of the Alpha-1 Subunit of Human Glycine Receptor
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D_15N-SEPARATED_NOESY | 1MM TM23 U-15N, TRIFLUOROETHANOL-D2; 1MM TM23 U-15N,13C, TRIFLUOROETHANOL-D2 | 7.0 | 1 atm | 303 | |||
| 2 | 2D NOESY | 1MM TM23 U-15N, TRIFLUOROETHANOL-D2; 1MM TM23 U-15N,13C, TRIFLUOROETHANOL-D2 | 7.0 | 1 atm | 303 | |||
| 3 | 2D TOCSY | 1MM TM23 U-15N, TRIFLUOROETHANOL-D2; 1MM TM23 U-15N,13C, TRIFLUOROETHANOL-D2 | 7.0 | 1 atm | 303 | |||
| 4 | 3D HNCA | 1MM TM23 U-15N, TRIFLUOROETHANOL-D2; 1MM TM23 U-15N,13C, TRIFLUOROETHANOL-D2 | 7.0 | 1 atm | 303 | |||
| 5 | 3D HNCO | 1MM TM23 U-15N, TRIFLUOROETHANOL-D2; 1MM TM23 U-15N,13C, TRIFLUOROETHANOL-D2 | 7.0 | 1 atm | 303 | |||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AVANCE | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing | XPLOR-NIH | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | TARGET FUNCTION,STRUCTURES WITH THE LOWEST ENERGY, STRUCTURES WITH THE LEAST RESTRAINT VIOLATIONS |
| Conformers Calculated Total Number | 50 |
| Conformers Submitted Total Number | 20 |
| Representative Model | 1 (n/a) |
| Additional NMR Experimental Information | |
|---|---|
| Details | THE STRUCTURE WAS DETERMINED USING STANDARD 15N FILTERED NOESY SPECTROSCOPY AND H/D EXCHANGE EXPERIMENTS TOGETHER WITH HA AND CA CHEMICAL SHIFT INDEXES FOR IDENTIFICATION OF INTRAHELICAL HYDROGEN BONDING. |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | XPLOR-NIH | 2.9.6 | SCHWIETERS, C.D. ET AL |
| 2 | structure solution | XwinNMR | 2.6 | |
| 3 | structure solution | NMRPIPE SGI6X | ||
| 4 | structure solution | XPLOR-NIH | 2.9.6 | |
