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213D

CRYSTAL STRUCTURE OF THE A-DNA DECAMER D(CCIGGCCM5CGG) AT 1.6 ANGSTROMS SHOWING THE UNEXPECTED WOBBLE I.M5C BASE PAIR

Experimental procedure
Source typeROTATING ANODE
Source detailsMACSCIENCE
Temperature [K]290
Detector technologyDIFFRACTOMETER
DetectorSIEMENS
Spacegroup nameP 21 21 21
Unit cell lengths25.020, 44.950, 47.620
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution8.000 - 1.600
R-factor0.163
Rwork0.163
RMSD bond length0.013
RMSD bond angle31.900

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Refinement softwareX-PLOR
Data quality characteristics
 Overall
High resolution limit [Å]1.600
Rmerge0.021

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Total number of observations21000

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Number of reflections6143
Completeness [%]86.0

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Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7pH 7.00, VAPOR DIFFUSION, HANGING DROP
Crystallization Reagents
IDcrystal IDsolution IDreagent nameconcentrationdetails
111WATER
211MPD
311NA CACODYLATE
411SPERMINE_HCL
512WATER
612MPD
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropDNA2 (mM)
21dropsodium cacodylate40 (mM)
31dropspermine tetrachloride5 (mM)
41reservoirMPD50 (%(v/v))

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PDB entries from 2024-04-17

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