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289D

TARGETING THE MINOR GROOVE OF DNA: CRYSTAL STRUCTURES OF TWO COMPLEXES BETWEEN FURAN DERIVATIVES OF BERENIL AND THE DNA DODECAMER D(CGCGAATTCGCG)2

Experimental procedure
Source typeROTATING ANODE
Temperature [K]287
Detector technologyAREA DETECTOR
Collection date1995-09-04
DetectorXENTRONICS
Spacegroup nameP 21 21 21
Unit cell lengths25.430, 40.660, 66.130
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution8.000 - 2.200
R-factor0.186
Rwork0.186
Starting model (for MR)BDL001
RMSD bond length0.009
RMSD bond angle1.470
Data reduction softwareXENGEN (V. 1.3)
Refinement softwareX-PLOR
Data quality characteristics
 Overall
High resolution limit [Å]2.200
Rmerge0.088
Number of reflections3427
Completeness [%]91.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7286pH 7.00, VAPOR DIFFUSION, HANGING DROP, temperature 286.00K
Crystallization Reagents
IDcrystal IDsolution IDreagent nameconcentrationdetails
111WATER
211MPD
311MGCL2
411SPERMINE
511NA CACODYLATE
612WATER
712MPD
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropMPD30 (%(w/v))
21dropA2T2complex solution5 (mM)
31drop50 (mM)
41dropspermine2.5 (mM)
51reservoirMPD50 (%)
61dropA2T2 solution2 (mM)

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