1F84
SOLUTION STRUCTURE OF HCV IRES RNA DOMAIN IIID
SOLUTION NMR
NMR Experiment | ||||||||
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Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
1 | P31-decoupled DQF COSY, HP COSY, D2O NOESY, H2O NOESY | 1.5mM RNA, non-isotopically labelled | 10mM sodium phosphate buffer, pH 6.40 96% H2O, 4% D2O or 100% D2O | 10mM | 6.40 | ambient | 283 | |
2 | P31-decoupled DQF COSY, HP COSY, D2O NOESY, H2O NOESY | 1.5mM RNA, non-isotopically labelled | 10mM sodium phosphate buffer, pH 6.40 96% H2O, 4% D2O or 100% D2O | 10mM | 6.40 | ambient | 298 | |
3 | 3D HCP, 3D HMQC-TOCSY, 3D C13-edited NOESY | 1mM RNA, U-15N,13C | 10mM sodium phosphate buffer, pH 6.40 96% H2O, 4% D2O or 100% D2O | 10mM | 6.40 | ambient | 298 |
NMR Spectrometer Information | |||
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Spectrometer | Manufacturer | Model | Field Strength |
1 | Varian | INOVA | 500 |
2 | Varian | INOVA | 800 |
NMR Refinement | ||
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Method | Details | Software |
Simulated annealing and restrained molecular dynamics | SEE REFERENCE ABOVE | X-PLOR |
NMR Ensemble Information | |
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Conformer Selection Criteria | structures with the least restraint violations,structures with the lowest energy |
Conformers Calculated Total Number | 100 |
Conformers Submitted Total Number | 25 |
Representative Model | 21 (closest to the average) |
Additional NMR Experimental Information | |
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Details | THE STRUCTURE WAS DETERMINED USING TRIPLE RESONANCE HCN AND HCP EXPERIMENTS ON N15,C13-LABELLED RNA |
Computation: NMR Software | ||||
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# | Classification | Version | Software Name | Author |
1 | refinement | X-PLOR | 3.1 | Brunger |
2 | data analysis | Sparky | 3.8 | Goddard |