1T2R | pdb_00001t2r

Structural basis for 3' end recognition of nucleic acids by the Drosophila Argonaute 2 PAZ domain


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
1TRIPLE RESONANCE0.2-1.0 MM 15N OR 15N,13C-LABELED PROTEIN, 0.1-2.5 MM UNLABELED DNA, 50 MM SODIUM PHOSPHATE BUFFER, 0.2 MM DTT6.81 atm295
2NOESY0.2-1.0 MM 15N OR 15N,13C-LABELED PROTEIN, 0.1-2.5 MM UNLABELED DNA, 50 MM SODIUM PHOSPHATE BUFFER, 0.2 MM DTT6.81 atm295
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerDRX500
2BrukerDRX600
3BrukerDRX900
NMR Refinement
MethodDetailsSoftware
molecular dynamics simulated annealingTHE EXPERIMENTALLY DETERMINED DISTANCE RESTRAINTS WERE APPLIED IN A MIXED TORSION AND CARTESIA DY NAMICS SIMULATED ANNEALING PROTOCOL. THE FINAL STRUCTURE ENSEMBLE WAS REFINED IN A SHELL OF WATER MOLECULES.ARIA1.2, CNS1.1
NMR Ensemble Information
Conformer Selection Criterialowest energies
Conformers Calculated Total Number150
Conformers Submitted Total Number10
Representative Model1 (lowest energy)
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1refinementARIA1.2, CNS1.1NILGES, BRUNGER ET AL.
2structure solutionNMRView
3structure solutionARIA/CNS