8FHX

Structure of Lettuce aptamer bound to DFHBI-1T

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-26
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.912
Spacegroup name	P 21 21 21
Unit cell lengths	25.015, 44.417, 118.921
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.610 - 2.500
R-factor	0.2297
Rwork	0.225
R-free	0.26800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8fhv
RMSD bond length	0.005
RMSD bond angle	0.775
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.460	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.102	0.287
Number of reflections	4870	473
<I/σ(I)>	13.9	2
Completeness [%]	97.6
Redundancy	10.2
CC(1/2)	0.998	0.956

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