structures with the lowest energy, no restraint violation, consistent with residual dipolar couplings
Representative
Model #1
lowest energy
-
Components
#1: RNA chain
HumanU64H/ACAsnoRNA
Mass: 7332.368 Da / Num. of mol.: 1 / Fragment: U64 3' terminal hairpin loop / Source method: obtained synthetically Details: RNA is synthesized using in vitro transcription with T7 RNA polymerase and a partially double-stranded DNA template
-
Experimental details
-
Experiment
Experiment
Method: SOLUTION NMR
NMR experiment
Conditions-ID
Experiment-ID
Solution-ID
Type
1
1
1
2D NOESY (11echo and WATERGATE)
2
2
1
2D NOESY, 2D TOCSY, Natural abundance 2D 13C HSQC
1
3
2
2D 15N-HMQC, 2D 15N-CPMG-NOESY, 2D JNN-HNN-COSY
2
4
2
2D 13C-HSQC, 2D (H)CCH-COCSY, 3D (H)CCH-TOCSY, 3D NOESY-HMQC, 2D 31P spin echo difference (H)CCH/HSQC/HMQC, 2D CT-CE-HSQC
Method: simulated annealing / Software ordinal: 1 Details: Structures are based on 497 NOE-derived distance contraints, 83 dihedral angle restraints, 23 distance restraints from hydrogen bonds, and 16 H-C residual dipolar couplings
NMR representative
Selection criteria: lowest energy
NMR ensemble
Conformer selection criteria: structures with the lowest energy, no restraint violation, consistent with residual dipolar couplings Conformers calculated total number: 200 / Conformers submitted total number: 20
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