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3GDA

Crystal study of d(CACGCG).d(CGCGTG) grwon in presence of stannous chloride

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsBRUKER AXS MICROSTAR
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2008-11-15
DetectorMAR scanner 345 mm plate
Wavelength(s)1.54
Spacegroup nameP 21 21 21
Unit cell lengths17.552, 30.207, 43.682
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution10.920 - 1.880
R-factor0.24219
Rwork0.241
R-free0.26596
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)Z-DNA FIBER MODEL BUILT WITH INSIGHT-II
RMSD bond length0.011
RMSD bond angle2.015
Data reduction softwareAUTOMAR
Data scaling softwareSCALEPACK
Phasing softwareAMoRE
Refinement softwareREFMAC (5.2.0019)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]12.0001.940
High resolution limit [Å]1.8701.870
Rmerge0.0580.332
Number of reflections2113
<I/σ(I)>6.71.1
Completeness [%]99.198.6
Redundancy4.054.18
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.99293Sodium cacodylate 50mM, SnCl2 0.5mM, Spermine 10mM, Methyl pentane diol 33%, pH 6.99, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Crystallization Reagents
IDcrystal IDsolution IDreagent nameconcentrationdetails
111Sodium cacoldylate
211SnCl2
311Spermine
411MPD
512Sodium cacoldylate
612SnCl2
712MPD

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PDB entries from 2024-12-25

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