1E5G
Solution structure of central CP module pair of a pox virus complement inhibitor
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D NOESY | 6.0 | 310 | |||||
| 2 | COSY | 6.0 | 310 | |||||
| 3 | TOCSY | 6.0 | 310 | |||||
| 4 | 3D HSQC NOESY | 6.0 | 310 | |||||
| 5 | TOCSY | 6.0 | 310 | |||||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | INOVA | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| ARIA | REFINEMENT DETAILS CAN BE FOUND IN THE JRNL CITATION | X-PLOR |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | |
| Conformers Calculated Total Number | |
| Conformers Submitted Total Number | 50 |
| Representative Model | 37 (n/a) |
| Additional NMR Experimental Information | |
|---|---|
| Details | 15N-LABELLED VCP MODULES 2 AND 3 WAS USED TO OBTAIN HSQC NOESY AND TOCSY EXPERIMENTS TO ASSIGN THE BACKBONE ATOMS. 2D EXPERIMENTS WERE THEN USED IN CONJUNCTION WITH THE 3D TECHNIQUES TO ASSIGN THE SIDE CHAIN ATOMS AND THE STRUCTURE WAS CALCULATED USING UNAMBIGUOUS AND AMBIGUOUS RESTRAINTS |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | X-PLOR | 3.851 | BRUNGER |
| 2 | structure solution | X-PLOR | ||
