The Ferredoxin-Cytochrome complex using heteronuclear NMR and docking simulation
SOLUTION NMR - THEORETICAL MODEL
NMR Experiment |
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Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
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1 | HSQC | 10% D2O/90% WATER | | | 5.9 | | 296 | |
NMR Spectrometer Information |
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Spectrometer | Manufacturer | Model | Field Strength |
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1 | Bruker | DRX | 500 |
NMR Refinement |
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Method | Details | Software |
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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 |
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Conformers Calculated Total Number | |
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Conformers Submitted Total Number | 3 |
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Representative Model | 2 (n/a) |
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Additional NMR Experimental Information |
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Details | HETERONUCLEAR EXPERIMENTS ON 15N-LABELED FERREDOXIN AND CYTOCHROME, CHEMICAL SHIFT VARIATION ANALYSIS |
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Computation: NMR Software |
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# | Classification | Version | Software Name | Author |
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1 | refinement | X-PLOR | 3.851 | BRUNGER |