1U85
ARG326-TRP mutant of the third zinc finger of BKLF
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D NOESY | 1.1mM B3F-R326W, 2mM TCEP, 2mM ZnSO4 | 95% H2O/5% D2O | 5.7 | ambient | 280 | ||
| 2 | 2D TOCSY | 1.1mM B3F-R326W, 2mM TCEP, 2mM ZnSO4 | 95% H2O/5% D2O | 5.7 | ambient | 280 | ||
| 3 | DQF-COSY | 1.1mM B3F-R326W, 2mM TCEP, 2mM ZnSO4 | 95% H2O/5% D2O | 5.7 | ambient | 280 | ||
| 4 | HNHA | 1mM 15N-B3F-R326W, 2mM TCEP, 2mM ZnSO4 | 95% H2O/5% D2O | 5.7 | ambient | 280 | ||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | DRX | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing molecular dynamics, torsion angle dynamics | Structure calculations were performed in ARIA. The structures are based on 845 NOE-derived distance constraints and 20 dihedral angle restraints | XwinNMR |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | target function |
| Conformers Calculated Total Number | 50 |
| Conformers Submitted Total Number | 20 |
| Additional NMR Experimental Information | |
|---|---|
| Details | This structure was determined using standard 2D homonuclear techniques. |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | processing | XwinNMR | 2.5 | Bruker |
| 2 | data analysis | XEASY | 1.3.13 | Bartels et al |
| 3 | structure solution | CYANA | 1.0.6 | Guntert et al |
| 4 | refinement | ARIA | 1.1.2 | Linge et al |
