5IYG

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	41.463, 41.463, 88.724
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.838 - 1.701
R-factor	0.2175
Rwork	0.214
R-free	0.25080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3v9d
RMSD bond length	0.019
RMSD bond angle	2.036
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]	27.838	27.838	1.800
High resolution limit [Å]	1.700	5.030	1.700
Rmerge	0.042	0.033	0.319
Rmeas	0.043	0.034	0.326
Total number of observations	241845
Number of reflections	9012	372	1430
<I/σ(I)>	43.04	78.65	11.42
Completeness [%]	99.3	88.8	99.3
CC(1/2)	1.000	0.999	0.993

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	1mM DNA, 50mM sodium cacodylate buffer, 5mM Mgcl2, 5mM spermine, 33% MPD.