1BZ2
STABILIZATION OF THE ANTICODON STEM-LOOP OF TRNALYS,3 BY AN A+C BASE PAIR AND BY PSEUDOURIDINE, NMR, 1 STRUCTURE
SOLUTION NMR
NMR Experiment | ||||||||
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Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
1 | NOESY | 100 mM NACL | 7 | 303 | ||||
2 | ROESY | 100 mM NACL | 7 | 303 | ||||
3 | TOCSY | 100 mM NACL | 7 | 303 | ||||
4 | HMQC | 100 mM NACL | 7 | 303 |
NMR Spectrometer Information | |||
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Spectrometer | Manufacturer | Model | Field Strength |
1 | Varian | UNITY 500 | 500 |
NMR Refinement | ||
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Method | Details | Software |
molecular dynamics | AMBER FORCEFIELD IN VACUO | Discover |
NMR Ensemble Information | |
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Conformer Selection Criteria | LEAST RESTRAINT VIOLATION |
Conformers Calculated Total Number | 35 |
Conformers Submitted Total Number | 1 |
Additional NMR Experimental Information | |
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Details | CLOSEST RMSD FROM AVERAGE STRUCTURE. STRUCTURE WAS DETERMINED USING RESTRAINTS FROM HOMONUCLEAR ROESY DATA. ASSIGNMENTS WERE MADE WITH A COMBINATION OF ROESY, NOESY, TOCSY, DQCOSY AND HETERONUCLEAR 1H-13C HMQC AND 1H-31P HETERO-TOCSY-TOCSY EXPERIMENTS. |
Computation: NMR Software | ||||
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# | Classification | Version | Software Name | Author |
1 | refinement | Discover | 95 | MSI |
2 | structure solution | VNMR | ||
3 | structure solution | Felix | ||
4 | structure solution | Discover |