1NYD | pdb_00001nyd

Solution structure of DNA quadruplex GCGGTGGAT


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
12D NOESY4 mM sample in 100 mM NaCl, 2 mM phosphate99.9% D2O100 mM NaCl6.61 atm293
22D TOCSY4 mM sample in 100 mM NaCl, 2 mM phosphate99.9% D2O100 mM NaCl6.61 atm293
3DQF-COSY4 mM sample in 100 mM NaCl, 2 mM phosphate99.9% D2O100 mM NaCl6.61 atm293
4(1H,13C)HSQC4 mM sample in 100 mM NaCl, 2 mM phosphate99.9% D2O100 mM NaCl6.61 atm293
5(1H,15N)HSQC4 mM sample in 100 mM NaCl, 2 mM phosphate90% H2O/10% D2O100 mM NaCl6.61 atm273
6JR-HMBC4 mM sample in 100 mM NaCl, 2 mM phosphate90% H2O/10% D2O100 mM NaCl6.61 atm273
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1VarianUNITY400
2VarianINOVA500
3VarianINOVA600
NMR Refinement
MethodDetailsSoftware
distance geometry, simulated annealing, molecular dynamicsFelix
NMR Ensemble Information
Conformer Selection Criteria
Conformers Calculated Total Number
Conformers Submitted Total Number1
Additional NMR Experimental Information
DetailsStructure determined using homo- and heteronuclear techniques with explicit correlations between exchangeable and non-exchangeable signals.
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1processingFelix1998MSI
2refinementX-PLOR3.1Brunger
3data analysisInsight II2000Accelrys