6GN3

Racemic crystal structure of A-DNA duplex formed from d(CCCGGG) in space group P21/n

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-X
Temperature [K]	150
Detector technology	PIXEL
Collection date	2015-08-06
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.5417
Spacegroup name	P 1 21/n 1
Unit cell lengths	48.883, 41.430, 71.958
Unit cell angles	90.00, 97.47, 90.00

Refinement procedure

Resolution	31.490 - 2.800
R-factor	0.2836
Rwork	0.280
R-free	0.31820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vt5
RMSD bond length	0.007
RMSD bond angle	0.561
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]	31.490	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.073	0.339
Rmeas	0.103	0.480
Number of reflections	6839	685
<I/σ(I)>	11.19	2.47
Completeness [%]	99.0	99
Redundancy	1.9	1.9
CC(1/2)	0.990	0.924

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	Ammonium sulfate, MES buffer, cobalt chloride