8F2Y

Structure of an alternating AT dodecamer: 5'-CGCGATATCGCG-3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-28
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	25.486, 40.362, 66.692
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.710 - 1.780
R-factor	0.2104
Rwork	0.209
R-free	0.22470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bna
RMSD bond length	0.012
RMSD bond angle	1.400
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.710	1.840
High resolution limit [Å]	1.780	1.780
Rmerge		0.156
Rmeas		0.220
Rpim		0.156
Number of reflections	7017	692
<I/σ(I)>	11.2
Completeness [%]	99.6
Redundancy	2
CC(1/2)	0.994	0.955

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	MPD, SODIUM CACODYLATE TRIHYDRATE, SPERMINE TETRACHLORIDE, SODIUM CHLROIDE, MAGNESIUM HEXAHYDRATE