5FHJ

Extensive amphimorphism in DNA: Three stable conformations for the decadeoxynucleotide 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	2013-06-27
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.605, 0.976
Spacegroup name	P 41 21 2
Unit cell lengths	48.500, 48.500, 111.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.437 - 1.680
R-factor	0.2107
Rwork	0.209
R-free	0.22540
Structure solution method	SAD
RMSD bond length	0.004
RMSD bond angle	0.624
Data reduction software	MOSFLM (7.0.9)
Data scaling software	Aimless (0.2.17)
Phasing software	PHENIX (1.9_1692)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.440	1.710
High resolution limit [Å]	1.680	1.680
Rmerge	0.060	0.740
Number of reflections	15873
<I/σ(I)>	27.8	3.8
Completeness [%]	99.9	98.8
Redundancy	28	25.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	1mM DNA, 50 mM sodium cacodylate buffer, 10 mM cobalt chloride, 0.5 mM spermine, 40% MPD