4L5K

Crystal structure of the complex of DNA hexamer d(CGATCG) with Coptisine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OXFORD DIFFRACTION ENHANCE ULTRA
Temperature [K]	100
Detector technology	CCD
Collection date	2011-08-14
Detector	OXFORD ONYX CCD
Wavelength(s)	1.542
Spacegroup name	P 65 2 2
Unit cell lengths	26.581, 26.581, 77.094
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	14.780 - 2.710
R-factor	0.2671
Rwork	0.267
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ft6
RMSD bond length	0.013
RMSD bond angle	2.922
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	14.780		3.160
High resolution limit [Å]	2.700	7.570	2.990
Rmerge	0.092	0.050	0.776
Number of reflections	558
<I/σ(I)>	18.99	32.03	3.69
Completeness [%]	97.0	86.1	87.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	296	10% MPD, 40 mM Na Cacodylate, 12 mM spermine tetra-HCl, 80 mM sodium chloride and 20 mM barium chloride, pH 6.0, vapor diffusion, sitting drop, temperature 296K