8FHV

Structure of Lettuce aptamer bound to DFHBI-1T with thallium I ions

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-07
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.976
Spacegroup name	P 21 21 21
Unit cell lengths	24.658, 42.821, 119.531
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.770 - 2.500
R-factor	0.2156
Rwork	0.212
R-free	0.25100
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	0.825
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	AutoSol
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	119.530	2.340
High resolution limit [Å]	2.270	2.270
Rmerge	0.127	1.223
Number of reflections	6337	539
<I/σ(I)>	12.6	1.4
Completeness [%]	99.8
Redundancy	12.1
CC(1/2)	0.996	0.689

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	294	0.05 M Magnesium chloride hexahydrate, 0.1 M HEPES pH 7.5, 30% (v/v) polyethylene glycol monoethyl ether 550