2IDY
NMR Structure of the SARS-CoV non-structural protein nsp3a
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D_13C-separated_NOESY | 1-2.5 mM 15N, 13C 50mM phosphate buffer pH 6.5 150 mM NaCl; H20 90%, D20 10% | H20 90%, D20 10% | 50 mM sodium phosphate, 150 mM NaCl | 6.5 | ambient | 298 | |
| 2 | 3D_15N-separated_NOESY | 1-2.5 mM 15N, 13C 50mM phosphate buffer pH 6.5 150 mM NaCl; H20 90%, D20 10% | H20 90%, D20 10% | 50 mM sodium phosphate, 150 mM NaCl | 6.5 | ambient | 298 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AVANCE | 600 |
| 2 | Bruker | DRX | 750 |
| 3 | Bruker | AVANCE | 800 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| opal 1.0 | ATNOS/CANDID/CYANA | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | conformer closest to the mean coordinates |
| Conformers Calculated Total Number | 80 |
| Conformers Submitted Total Number | 1 |
| Representative Model | 1 (closest to the average) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | structure solution | ATNOS/CANDID/CYANA | 1.0 | Gunter |
| 2 | collection | TopSpin | 1.3 | Bruker |
| 3 | data analysis | CARA | 1.4 | Keller |
| 4 | refinement | ATNOS/CANDID/CYANA | 1.0 | Gunter |
