9EHE

Structure of short Lettuce aptamer (A5T variant) bound with TO1-biotin.

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	2024-08-09
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.92
Spacegroup name	P 21 21 21
Unit cell lengths	24.456, 43.258, 118.383
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.600 - 1.630
R-factor	0.2256
Rwork	0.223
R-free	0.27360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.202
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.600	1.840
High resolution limit [Å]	1.630	1.630
Number of reflections	16644	464
<I/σ(I)>	10.7
Completeness [%]	87.9
Redundancy	7.8
CC(1/2)	0.999	0.885

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	100 uM annealed DNA (in 20 mM MOPS KOH pH 7.0, 150 mM KCl, 1 mM MgCl2 and 10 uM EDTA) was mixed with equimolar chromophore and mixed with crystallization buffer solution (1 M magnesium chloride hexahydrate, 2 M HEPES pH 7.5 and PEG MME 550) and crystallized against 300 uL crystallization buffer and 300 uL water mixture.