1LUU
NMR SOLUTION STRUCTURE OF THE ANTICODON OF YEAST TRNA-PHE WITH 4 MODIFICATIONS (OMC32 OMG34 1MG37 5MC40)
SOLUTION NMR
NMR Experiment | ||||||||
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Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
1 | 2D NOESY | 1.2 MM RNA, 10 MM CACODYLATE BUFFER, PH 5.6, 0.1 MM EDTA | 5.60 | 1 atm | 298 | |||
2 | DQF-COSY | 1.2 MM RNA, 10 MM CACODYLATE BUFFER, PH 5.6, 0.1 MM EDTA | 5.60 | 1 atm | 298 |
NMR Spectrometer Information | |||
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Spectrometer | Manufacturer | Model | Field Strength |
1 | Bruker | AVANCE | 500 |
NMR Refinement | ||
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Method | Details | Software |
GLOBAL FOLD BY DISTANCE GEOMETRY. REFINEMENT BY SIMULATED ANNEALING USING THE AMBER FORCEFIELD | 269 RESTRAINTS (256 NOE-DERIVED, 13 H-BOND) 96 DIHEDRAL ANGLE. | XwinNMR |
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 | 50 |
Conformers Submitted Total Number | 11 |
Representative Model | 1 (minimized average structure) |
Additional NMR Experimental Information | |
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Details | THIS STRUCTURE WAS DETERMINED USING STANDARD 2D HOMONUCLEAR TECHNIQUES |
Computation: NMR Software | ||||
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# | Classification | Version | Software Name | Author |
1 | collection | XwinNMR | Bruker | |
2 | data analysis | Felix | 98 | Accelrys |
3 | refinement | Discover | 98 | Accelrys |