1KCI

Crystal Structure of 9-amino-N-[2-(4-morpholinyl)ethyl]-4-acridinecarboxamide Bound to d(CGTACG)2

Refinement Statistics

Experimental method:X-RAY DIFFRACTION (1.8 Å)

Cell axes30.23930.23939.340
Cell angles90.0090.00120.00
SpacegroupP 64
Resolution limits40.00 - 1.80
the highest resolution shell value -
R-factor0.219
R-work0.21500
R-free0.29100
RMSD bond length0.004*
RMSD bond angle0.012*

Data Collection Statistics

Resolution limits40.00 - 1.80
the highest resolution shell value -
Number of reflections1951 (1955*)
Number of measurements30670*
Rmerge_l_obs0.094*
the highest resolution shell value0.351*
Completeness99.8
the highest resolution shell value100.*
Redundancy7.7
the highest resolution shell value6.6
I/sigma(I)0

Crystallization Conditions

crystal IDmethodpHpH rangetemperatureunit
1VAPOR DIFFUSION, SITTING DROP6285K*

Crystallization Reagents

IDcrystal IDsolution IDreagent nameconcentrationdetails
111cacodylate
211spermine
311KCl
411MgCl2
511MPD
Crystallization Reagents in Literatures*
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropsodium cacodylate20 (mM)pH6.0
21dropDNA0.6 (mM)duplex
31dropligand1.2 (mM)
41dropspermine tetrahydrochloride6 (mM)
51drop40 (mM)
61drop10 (mM)
71dropMPD5 (%)
81reservoirMPD60 (%)
Annotated Information is extracted from Literature Info*