7VZM
Anti-CRISPR AcrIE4-F7
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D CBCA(CO)NH | 0.6 mM [U-13C; U-15N] AcrIE4-F7 | 90% H2O/10% D2O | 100 mM | 7 | 1 atm | 298 | Bruker AVANCE 900 |
| 2 | 3D HNCACB | 0.6 mM [U-13C; U-15N] AcrIE4-F7 | 90% H2O/10% D2O | 100 mM | 7 | 1 atm | 298 | Bruker AVANCE 900 |
| 3 | 3D 1H-13C NOESY aliphatic | 0.6 mM [U-13C; U-15N] AcrIE4-F7 | 90% H2O/10% D2O | 100 mM | 7 | 1 atm | 298 | Bruker AVANCE 900 |
| 4 | 3D 1H-13C NOESY aromatic | 0.6 mM [U-13C; U-15N] AcrIE4-F7 | 90% H2O/10% D2O | 100 mM | 7 | 1 atm | 298 | Bruker AVANCE 900 |
| 5 | 3D 1H-15N NOESY | 0.6 mM [U-13C; U-15N] AcrIE4-F7 | 90% H2O/10% D2O | 100 mM | 7 | 1 atm | 298 | Bruker AVANCE 900 |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AVANCE | 900 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing | X-PLOR NIH | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the lowest energy |
| Conformers Calculated Total Number | 1000 |
| Conformers Submitted Total Number | 20 |
| Representative Model | 1 (lowest energy) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | chemical shift assignment | PIPP | Garrett and Clore | |
| 2 | structure calculation | X-PLOR NIH | Schwieters, Kuszewski, Tjandra and Clore | |
| 4 | peak picking | PIPP | Garrett | |
