1YWS
Solution structure of YBL071w-A from Saccharomyces cerevisiae.
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D_15N-separated_NOESY | 1mM YBL071w-A, U-15N, U-13C; 450mM NaCl, 1mM benzamidine, 0.01% NaN3, 10mM MOPS, 0.01mM ZnSO4, 90% H2O, 10% D2O | 90% H2O/10% D2O | 450mM NaCl | 6.5 | ambient | 298 | |
| 2 | 3D_13C-separated_NOESY | 1mM YBL071w-A, U-15N, U-13C; 450mM NaCl, 1mM benzamidine, 0.01% NaN3, 10mM MOPS, 0.01mM ZnSO4 | 99.9% D2O | 450mM NaCl | 6.5 | ambient | 298 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | DRX | 500 |
| 2 | Bruker | DRX | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing | 100 structures were calculated by CYANA 2.0 using 1294 NOE-derived distance constraints, 122 dihedral angle constraints, and 54 distance constraints from hydrogen bonds. The 20 structures with lowest target functions were subjected to refinement with CNS 1.1. | NMRPipe |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | target function |
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 20 |
| Representative Model | 19 (closest to the average) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | processing | NMRPipe | 2.1 | Delaglio, F. |
| 2 | structure solution | CYANA | 2.0 | Guentert, P. et al. |
| 3 | refinement | CNS | 1.1 | Brunger, A. et al. |
