1A8N | pdb_00001a8n

SOLUTION STRUCTURE OF A NA+ CATION STABILIZED DNA QUADRUPLEX CONTAINING G.G.G.G AND G.C.G.C TETRADS FORMED BY G-G-G-C REPEATS OBSERVED IN AAV AND HUMAN CHROMOSOME 19, NMR, 8 STRUCTURES


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
1NOESY5 MM NACL, 0.2 MM NA2HPO45 mM NACL, 0.2 mM NA2HPO46.51 atm293
2TOCSY5 MM NACL, 0.2 MM NA2HPO45 mM NACL, 0.2 mM NA2HPO46.51 atm293
3COSY-455 MM NACL, 0.2 MM NA2HPO45 mM NACL, 0.2 mM NA2HPO46.51 atm293
4COSY DQF5 MM NACL, 0.2 MM NA2HPO45 mM NACL, 0.2 mM NA2HPO46.51 atm293
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1VarianUNITY INOVA600
NMR Refinement
MethodDetailsSoftware
distance geometryREFINEMENT DETAILS CAN BE FOUND IN THE JRNL CITATION ABOVEX-PLOR
NMR Ensemble Information
Conformer Selection CriteriaACCEPTABLE COVALEN GEOMETRY, LOW DISTANCE RESTRAINTS VIOLATIONS AND FAVORABLE NON-BONDED ENERGY
Conformers Calculated Total Number100
Conformers Submitted Total Number8
Additional NMR Experimental Information
Details2D PROTON NOESY EXPERIMENTS IN D2O WERE PERFORMED AT FIVE DIFFERENT MIXING TIMES (50, 100, 150, 200 AND 300 MS). 2D PROTON NOESY EXPERIMENTS IN H2O WERE PERFORMED AT 80 AND 250 MS.
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1refinementX-PLOR3.1BRUNGER
2structure solutionX-PLOR3.1