4ZKK

The novel double-fold structure of d(GCATGCATGC)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2012-07-19
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.604
Spacegroup name	P 62 2 2
Unit cell lengths	34.640, 34.640, 89.601
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.927 - 1.801
R-factor	0.2309
Rwork	0.229
R-free	0.24630
Structure solution method	SAD
RMSD bond length	0.004
RMSD bond angle	0.557
Data reduction software	MOSFLM (7.0.9)
Data scaling software	Aimless (0.2.14)
Phasing software	PHENIX (1.9_1692)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.090	0.660
Number of reflections	5358
<I/σ(I)>	36.6	3.8
Completeness [%]	98.0	83.7
Redundancy	32	14.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	1 mM DNA, 50 mM sodium cacodylate buffer, 10 mM cobalt chloride and equilibrated against 40% MPD