3U2N

Crystal structure of DNA(CGCGAATTCGCG)2 at 1.25 angstroms

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-07-07
Detector	PSI PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	23.920, 39.640, 65.390
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.260 - 1.250
R-factor	0.195
Rwork	0.193
R-free	0.23892
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.214
Data reduction software	xia2
Data scaling software	SCALA
Phasing software	PHASES
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.640	1.280	1.100
High resolution limit [Å]	1.070	1.240	1.070
Number of reflections	38536
Completeness [%]	72.9	80	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	283	MAGNESIUM CHLORIDE, DNA, MPD, SODIUM CACODYLATE BUFFER, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 283K