8F1V

A benzimidazole (DB1476) sequence-specific recognition of 5'-CGCAAAAAAGCG-3' in B-orientation

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	2022-07-25
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	25.030, 41.458, 64.004
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.330 - 2.100
R-factor	0.2823
Rwork	0.277
R-free	0.32510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bna
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]	25.330	2.175
High resolution limit [Å]	2.100	2.100
Number of reflections	4201	403
<I/σ(I)>	9.71
Completeness [%]	99.5
Redundancy	2
CC(1/2)	0.999	0.950

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	MPD, SODIUM CACOCYLATE TRIHYDRATE, SPERMINE TETRACHLORIDE, SODIUM CHLORIDE, POTASSIUM CHLORIDE, MAGNESIUM HEXAHYDRATE