9M6A

Crystal structure of xanthine/guanine RNA aptamer (P1-12bp) with uric acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	22.657, 44.909, 207.198
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.800 - 2.520
R-factor	0.2494
Rwork	0.247
R-free	0.30300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.713
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1-4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	207.200	2.590
High resolution limit [Å]	2.520	2.520
Rmerge	0.096	0.623
Rpim	0.043	0.320
Number of reflections	7805	525
<I/σ(I)>	11.2
Completeness [%]	99.8	100
Redundancy	10.6
CC(1/2)	0.997	0.864

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	291	0.08 M Potassium chloride 0.02 M Magnesium chloride hexahydrate 52% v/v (+/-)-2-Methyl-2,4-pentanediol 0.012 M Spermine tetrahydrochloride