NMR Structure of Domain III of the West Nile Virus Envelope Protein, Strain 385-99
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D_15N-SEPARATED_NOESY | 0.7MM WND3 PROTEIN, 50MM K2HPO4, 100MM NACL, 10MM NAN3, 0.1MM EDTA | 50mM PHOSPHATE, 100mM NACL, 10mM NAN3 | 6.8 | AMBIENT | 298 | ||
| 2 | 3D_ 13C-SEPARATED_NOESY | 0.7MM WND3 PROTEIN, 50MM K2HPO4, 100MM NACL, 10MM NAN3, 0.1MM EDTA | 50mM PHOSPHATE, 100mM NACL, 10mM NAN3 | 6.8 | AMBIENT | 298 | ||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | UNITYPLUS | 750 |
| 2 | Varian | UNITYPLUS | 600 |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the least restraint violations |
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 15 |
| Representative Model | 1 (n/a) |
| Additional NMR Experimental Information | |
|---|---|
| Details | CHEMICAL SHIFTS WERE DETERMINED USING TRIPLE-RESONANCE NMR SPECTROSCOPY. |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | Amber | 6 | PEARLMAN,CASE,CALDWELL,ROSS,CHEATHAM,FERGUSON, SEIBEL,SINGH,WEINER,KOLLMAN |
| 2 | structure solution | VNMR | 6.1B | |
| 3 | structure solution | SANE | 1.0 | |
| 4 | structure solution | Felix | 98 | |
| 5 | structure solution | Amber | 6 | |
