102D

SEQUENCE-DEPENDENT DRUG BINDING TO THE MINOR GROOVE OF DNA: THE CRYSTAL STRUCTURE OF THE DNA DODECAMER D(CGCAAATTTGCG)2 COMPLEXED WITH PROPAMIDINE

Refinement Statistics

Experimental method:X-RAY DIFFRACTION (2.2 Å)

Cell axes24.78041.16065.510
Cell angles90.0090.0090.00
SpacegroupP 21 21 21
Resolution limits8.00 - 2.20
the highest resolution shell value -
R-factor0.155
R-work0.15500
RMSD bond length0.022
RMSD bond angle4.000

Data Collection Statistics

Resolution limits - 2.20
the highest resolution shell value -
Number of reflections3410 (2341*)
Rmerge_l_obs0.053

Crystallization Conditions

crystal IDmethodpHpH rangetemperatureunit
1VAPOR DIFFUSION, SITTING DROP7277K*

Crystallization Reagents

IDcrystal IDsolution IDreagent nameconcentrationdetails
111WATER
211MPD
311MGCL2
411NA CACODYLATE
512WATER
612MPD
Crystallization Reagents in Literatures*
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropDNA3 (mM)0.005ml
21drop100 (mM)0.005ml
31droppropamidine15 (mM)0.004ml
41dropMPD45 (%)0.005ml
51reservoirMPD45 (%)0.002ml
Annotated Information is extracted from Literature Info*