1QE7 | pdb_00001qe7

SOLUTION STRUCTURE OF A URACIL CONTAINING HAIRPIN DNA


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
12D NOESY5 MM OLIGO; NO BUFFER; PH = 7.0, TEMP = 305 K; 99% D2O7.01 atm305
2E-COSY5 MM OLIGO; NO BUFFER; PH = 7.0, TEMP = 305 K; 99% D2O7.01 atm305
32D NOESY5 MM OLIGO; NO BUFFER; PH = 7.0, TEMP = 305 K; 90% H20 +10% D2O7.01 atm295
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1VarianUNITYPLUS600
2BrukerAMX500
NMR Refinement
MethodDetailsSoftware
RESTRAINED MOLECULAR DYNAMICS, ENERGY MINIMIZATIONTHE STRUCTURES ARE BASED ON A TOTAL OF 254 RESTRAINTS, 174 ARE NOE-DERIVED DISTANCE CONSTRAINTS, 64 DIHEDRAL ANGLE RESTRAINTS, 16 DISTANCE RESTRAINTS FROM HYDROGEN BONDS.VNMR
NMR Ensemble Information
Conformer Selection CriteriaSTRUCTURES WITH ACCEPTABLE COVALENT GEOMETRY,STRUCTURES WITH FAVORABLE NON- BOND ENERGY, STRUCTURES WITH THE LEAST RESTRAINT VIOLATIONS,STRUCTURES WITH THE LOWEST ENERGY
Conformers Calculated Total Number200
Conformers Submitted Total Number10
Representative Model1 (zero violations and lowest energy)
Additional NMR Experimental Information
DetailsTHIS STRUCTURE WAS DETERMINED USING STANDARD 2D HOMONUCLEAR TECHNIQUES
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1collectionVNMR6.1VARIAN
2structure solutionDiscover97MSI
3data analysisVNMR6.1VARIAN
4collectionUXNMR3.0BRUKER
5processingFelix97MSI
6data analysisFelix97MSI
7refinementDiscover97MSI