7W0V | pdb_00007w0v

C4'-SCF3-DT modifeid DNA-DNA duplex


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
12D 1H-1H NOESY0.4 mM no DNA (5'-D(*CP*CP*AP*TP*(DST)P*AP*TP*AP*GP*C)-3'), 0.4 mM no DNA (5'-D(*GP*CP*TP*AP*TP*AP*AP*TP*GP*G)-3'), 100 % no D2O, 10 mM no sodium phosphate100% D2O10 mM7.01 atm278Bruker AVANCE NEO 600
22D 1H-1H NOESY0.4 mM no DNA (5'-D(*CP*CP*AP*TP*(DST)P*AP*TP*AP*GP*C)-3'), 0.4 mM no DNA (5'-D(*GP*CP*TP*AP*TP*AP*AP*TP*GP*G)-3'), 10 % no D2O, 10 mM no sodium phosphate90% H2O/10% D2O10 mM7.01 atm278Bruker AVANCE NEO 600
32D DQF-COSY0.4 mM no DNA (5'-D(*CP*CP*AP*TP*(DST)P*AP*TP*AP*GP*C)-3'), 0.4 mM no DNA (5'-D(*GP*CP*TP*AP*TP*AP*AP*TP*GP*G)-3'), 100 % no D2O, 10 mM no sodium phosphate100% D2O10 mM7.01 atm278Bruker AVANCE NEO 600
42D 1H-1H TOCSY0.4 mM no DNA (5'-D(*CP*CP*AP*TP*(DST)P*AP*TP*AP*GP*C)-3'), 0.4 mM no DNA (5'-D(*GP*CP*TP*AP*TP*AP*AP*TP*GP*G)-3'), 100 % no D2O, 10 mM no sodium phosphate100% D2O10 mM7.01 atm278Bruker AVANCE NEO 600
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerAVANCE NEO600
NMR Refinement
MethodDetailsSoftware
simulated annealingAmber
NMR Ensemble Information
Conformer Selection Criteriastructures with the lowest energy
Conformers Calculated Total Number50
Conformers Submitted Total Number10
Representative Model1 (lowest energy)
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1collectionTopSpinBruker Biospin
2structure calculationAmberCase, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman
3chemical shift assignmentTopSpinBruker Biospin
4chemical shift assignmentNMRFAM-SPARKYLee W, Tonelli M, Markley JL
5peak pickingNMRFAM-SPARKYLee W, Tonelli M, Markley JL