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1LEX

STRUCTURE OF A DICATIONIC MONOIMIDAZOLE LEXITROPSIN BOUND TO DNA (ORIENTATION 1)

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Temperature [K]248
Detector technologyDIFFRACTOMETER
DetectorRIGAKU AFC-5R
Spacegroup nameP 21 21 21
Unit cell lengths24.030, 39.260, 66.300
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution8.000 - 2.250
R-factor0.165
R-free0.24800
RMSD bond length0.024
RMSD bond angle0.066
Refinement softwareNUCLSQ
Data quality characteristics
 OverallOuter shell
High resolution limit [Å]2.2502.250

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Completeness [%]85.0

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70

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Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion

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5

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standing drop

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Crystallization Reagents
IDcrystal IDsolution IDreagent nameconcentrationdetails
111WATER
211MPD
311MG ACETATE
411SPERMINE_HCL
512WATER
612MPD
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropDNA duplex0.43 (mM)
21dropmagnesium acetate6.0 (mM)
31dropspermine hydrochloride0.2 (mM)
41dropdrug0.73 (mM)
51dropMPD8.8 (%(w/v))
61reservoir40 (%(w/v))

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PDB entries from 2024-05-15

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