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- PDB-1d96: MOLECULAR STRUCTURE OF R(GCG)D(TATACGC): A DNA-RNA HYBRID HELIX J... -

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Basic information

Entry
Database: PDB / ID: 1d96
TitleMOLECULAR STRUCTURE OF R(GCG)D(TATACGC): A DNA-RNA HYBRID HELIX JOINED TO DOUBLE HELICAL DNA
ComponentsDNA/RNA (5'-R(*GP*CP*GP*)-D(*TP*AP*TP*AP*CP*GP*C)-3')
KeywordsDNA-RNA HYBRID / A-DNA/RNA / DOUBLE HELIX
Function / homologyDNA/RNA hybrid
Function and homology information
MethodX-RAY DIFFRACTION / Resolution: 2 Å
AuthorsWang, A.H.-J. / Fujii, S. / Van Boom, J.H. / Van Der Marel, G.A. / Van Boeckel, S.A.A. / Rich, A.
CitationJournal: Nature / Year: 1982
Title: Molecular structure of r(GCG)d(TATACGC): a DNA--RNA hybrid helix joined to double helical DNA.
Authors: Wang, A.H. / Fujii, S. / van Boom, J.H. / van der Marel, G.A. / van Boeckel, S.A. / Rich, A.
History
DepositionOct 17, 1992Deposition site: BNL / Processing site: NDB
Revision 1.0Jul 15, 1993Provider: repository / Type: Initial release
Revision 1.1May 22, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Feb 7, 2024Group: Data collection / Database references / Category: chem_comp_atom / chem_comp_bond / database_2
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: DNA/RNA (5'-R(*GP*CP*GP*)-D(*TP*AP*TP*AP*CP*GP*C)-3')
B: DNA/RNA (5'-R(*GP*CP*GP*)-D(*TP*AP*TP*AP*CP*GP*C)-3')


Theoretical massNumber of molelcules
Total (without water)6,1862
Polymers6,1862
Non-polymers00
Water00
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)24.200, 43.460, 49.400
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number19
Space group name H-MP212121

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Components

#1: DNA/RNA hybrid DNA/RNA (5'-R(*GP*CP*GP*)-D(*TP*AP*TP*AP*CP*GP*C)-3')


Mass: 3093.005 Da / Num. of mol.: 2 / Source method: obtained synthetically

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION

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Sample preparation

CrystalDensity Matthews: 2.1 Å3/Da / Density % sol: 41.42 %
Crystal growMethod: vapor diffusion / pH: 6 / Details: pH 6.00, VAPOR DIFFUSION
Components of the solutions
IDNameCrystal-IDSol-ID
1WATER11
2NA CACODYLATE11
3SPERMINE11
4MGCL211
5WATER12
6MPD12
Crystal grow
*PLUS
pH: 6 / Method: vapor diffusion
Components of the solutions
*PLUS
IDConc.UnitCommon nameCrystal-IDSol-ID
11.5 mMdecamer1drop
230 mMsodium cacodylate1drop
415 mMmagnesium chloride1drop
540 %MPD1reservoir
61
3mMspermine1drop

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Data collection

DiffractionMean temperature: 273 K
DetectorType: NICOLET / Detector: DIFFRACTOMETER
RadiationScattering type: x-ray
Radiation wavelengthRelative weight: 1
ReflectionHighest resolution: 2 Å / Num. all: 3798 / Num. obs: 2521 / Observed criterion σ(I): 1.5
Reflection
*PLUS
Highest resolution: 2 Å / Observed criterion σ(I): 1.5

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Processing

SoftwareName: NUCLSQ / Classification: refinement
RefinementHighest resolution: 2 Å / σ(I): 1.5 /
RfactorNum. reflection
obs0.16 2521
Refine Biso Class: ALL ATOMS / Details: TR / Treatment: isotropic
Refinement stepCycle: LAST / Highest resolution: 2 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms0 410 0 0 410
Refinement
*PLUS
Rfactor obs: 0.16 / Highest resolution: 2 Å / Num. reflection obs: 2521 / σ(I): 1.5
Solvent computation
*PLUS
Displacement parameters
*PLUS

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