5IYE

Comparison of X-ray crystal structures of a tetradecamer sequence d(CCCGGGTACCCGGG)2 at 1.7 resolution

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	2013-07-01
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.282
Spacegroup name	P 41
Unit cell lengths	29.283, 29.283, 88.213
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.792 - 1.694
R-factor	0.1914
Rwork	0.188
R-free	0.21950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3v9d
RMSD bond length	0.013
RMSD bond angle	1.553
Data reduction software	XDS (GPLv2)
Phasing software	PHASER (2.5.5)
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.792	27.792	1.800
High resolution limit [Å]	1.690	5.010	1.690
Rmerge	0.045	0.036	0.276
Rmeas	0.049	0.039	0.298
Total number of observations	118422
Number of reflections	16064	556	2457
<I/σ(I)>	21.74	39.43	5.69
Completeness [%]	98.4	88.4	92.9
CC(1/2)	0.999	0.999	0.968

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	1mM DNA, 50mM sodium cacodylate buffer, 8mM Zncl2, 10mM spermine, 40% MPD