2U1A

RNA BINDING DOMAIN 2 OF HUMAN U1A PROTEIN, NMR, 20 STRUCTURES


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
115N EDITED NOESYHMQC 5.5298
213C EDITED NOESYHSQC 5.5298
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1VarianUNITY500500
NMR Refinement
MethodDetailsSoftware
distance geometryDISTANCE GEOMETRY WAS PERFORMED USING 5%-PAIRWISE METRIZATION AND A GAUSSIAN TRIAL DISTRIBUTION FOR THE SELECTION OF DISTANCES USING THE PROGRAM DISTGEOM, A COMPONENT OF THE TINKER MOLECULAR MODELING PACKAGE. EMBEDDED STRUCTURES WERE REFINED VERSUS A PENALTY FUNCTION BASED SOLELY ON THE EXPERIMENTAL RESTRAINTS AND LOCAL COVALENT GEOMETRY (BOND LENGTHS, ANGLES, CHIRALITY) OBTAINED FROM A EXTENDED MODEL GENERATED BY QUANTA; NO ENERGY-BASED TERMS WERE INCLUDED. DETAILS OF THE CALCULATIONS AND STRUCTURAL STATISTICS ARE GIVEN IN THE JRNL RECORDS ABOVE.Tinker
NMR Ensemble Information
Conformer Selection CriteriaLEAST ERROR FUNCTION
Conformers Calculated Total Number40
Conformers Submitted Total Number20
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1refinementTinkerPONDER
2structure solutionTinker