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1VZK

A Thiophene Based Diamidine Forms a "Super" AT Binding Minor Groove Agent

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU200
Temperature [K]103
Detector technologyIMAGE PLATE
Collection date2003-04-28
DetectorRIGAKU RAXIS IV
Spacegroup nameP 21 21 21
Unit cell lengths25.677, 39.921, 65.185
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution8.000 - 1.770
R-factor0.2273
R-free0.29530
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)DNA PART OF NDB ENTRY GDL009 OR PDB ENTRY 2DBE
RMSD bond length0.008
RMSD bond angle0.028
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareCNS
Refinement softwareSHELXL-97
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]17.0001.830
High resolution limit [Å]1.7701.770
Rmerge0.0430.135
Number of reflections6667
<I/σ(I)>70.1813.16
Completeness [%]95.292.5
Redundancy6.58
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
17MGCL2, DNA, COMPOUND DB818, MPD, SPERMINE, SODIUM CACODYLATE BUFFER., pH 7.00

217705

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