8F20

Structure of an A-tract B-DNA Dodecamer: 5'-CGCAAAAAAGCG-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	25.662, 41.610, 65.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.650 - 2.230
R-factor	0.2551
Rwork	0.252
R-free	0.28540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bna
RMSD bond length	0.011
RMSD bond angle	1.325
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]	25.650	2.310
High resolution limit [Å]	2.230	2.230
Number of reflections	3703	374
<I/σ(I)>	24.03
Completeness [%]	99.3
Redundancy	2
CC(1/2)	1.000	0.918

Crystallization Conditions

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