5IYJ

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)	0.976
Spacegroup name	P 41 21 2
Unit cell lengths	41.583, 41.583, 89.906
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.947 - 1.701
R-factor	0.1938
Rwork	0.191
R-free	0.21900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3v9d
RMSD bond length	0.019
RMSD bond angle	1.798
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]	29.403	29.403	1.800
High resolution limit [Å]	1.700	5.040	1.700
Rmerge	0.049	0.038	0.407
Rmeas	0.050	0.039	0.415
Total number of observations	244198
Number of reflections	9182	380	1447
<I/σ(I)>	41.23	74.18	10.12
Completeness [%]	99.4	89.2	99.9
CC(1/2)	1.000	0.999	0.982

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	1mM DNA, 50mM sodium cacodylate buffer, 10mM spermine, 25% MPD