8FDQ

An AT-specific DNA 5-CGCAAATTTCGC-3' with benzimidazole (DB1476) complex

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	2022-06-07
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	24.380, 38.980, 60.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.970 - 1.540
R-factor	0.2082
Rwork	0.204
R-free	0.24220
Structure solution method	MOLECULAR REPLACEMENT
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]	23.970	1.595
High resolution limit [Å]	1.540	1.540
Rmerge	0.017
Number of reflections	8995	879
<I/σ(I)>	14.06
Completeness [%]	99.3
Redundancy	2
CC(1/2)	0.999	0.931

Crystallization Conditions

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