1FOV
GLUTAREDOXIN 3 FROM ESCHERICHIA COLI IN THE FULLY OXIDIZED FORM
SOLUTION NMR
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | DMX | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing in torsion angle space followed by conjugate gradient minimization | PROSA | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | target function |
| Conformers Calculated Total Number | 200 |
| Conformers Submitted Total Number | 20 |
| Representative Model | 18 (closest to the average) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | processing | PROSA | 3.6 | Guntert, Billeter, Ohlenschlager, Brown, & Wuthrich |
| 2 | data analysis | XEASY | 1.4 | Bartels, Xia, Billeter, Guntert, & Wuthrich |
| 3 | refinement | DYANA | 1.5 | Guntert, Mumenthaler, & Wuthrich |
| 4 | refinement | OPAL | 2.6 | Luginbuhl, Guntert, Billeter, & Wuthrich |
