6GN2

Racemic crystal structure of A-DNA duplex formed from d(CCCGGG) in space group R3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-X
Temperature [K]	150
Detector technology	PIXEL
Collection date	2015-07-02
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.5417
Spacegroup name	H -3
Unit cell lengths	105.413, 105.413, 56.131
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	23.910 - 2.480
R-factor	0.2601
Rwork	0.259
R-free	0.27230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vt5
RMSD bond length	0.003
RMSD bond angle	0.392
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.910	2.570
High resolution limit [Å]	2.480	2.480
Rmerge	0.057	0.425
Rmeas	0.081	0.601
Number of reflections	8101	729
<I/σ(I)>	10.71	2.02
Completeness [%]	97.0	89
Redundancy	1.9	1.8
CC(1/2)	0.997	0.926

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	Ammonium sulfate, Tris