The Ferredoxin-Cytochrome complex using heteronuclear NMR and docking simulation
SOLUTION NMR - THEORETICAL MODEL
| NMR Experiment |
|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
|---|
| 1 | HSQC | 10% D2O/90% WATER | | | 5.9 | | 296 | |
| NMR Spectrometer Information |
|---|
| Spectrometer | Manufacturer | Model | Field Strength |
|---|
| 1 | Bruker | DRX | 500 |
| NMR Refinement |
|---|
| Method | Details | Software |
|---|
| MAPPING OF THE CHEMICAL SHIFT VARIATIONS | MOLECULAR DYNAMICS CALCULATION USING AMBER FORCE FIELD THESE ARE 3 MODEL STRUCTURES FOR THE COMPLEX OF CYTOCHROME C553 WITH FERREDOXIN I | X-PLOR |
| NMR Ensemble Information |
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| Conformer Selection Criteria | COMBINATION OF NMR SHIFT VARIATION AND A SOFT DOCKING ALGORITHM |
|---|
| Conformers Calculated Total Number | |
|---|
| Conformers Submitted Total Number | 3 |
|---|
| Representative Model | 2 (n/a) |
|---|
| Additional NMR Experimental Information |
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| Details | HETERONUCLEAR EXPERIMENTS ON 15N-LABELED FERREDOXIN AND CYTOCHROME, CHEMICAL SHIFT VARIATION ANALYSIS |
|---|
| Computation: NMR Software |
|---|
| # | Classification | Version | Software Name | Author |
|---|
| 1 | refinement | X-PLOR | 3.851 | BRUNGER |
