9M6C

Crystal structure of xanthine/guanine RNA aptamer with xanthine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-18
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97915
Spacegroup name	P 42 21 2
Unit cell lengths	107.730, 107.730, 47.390
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.580 - 2.510
R-factor	0.2751
Rwork	0.273
R-free	0.30850
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.866
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.910	2.580
High resolution limit [Å]	2.510	2.510
Rmerge	0.092	3.135
Rpim	0.026	0.863
Number of reflections	9962	698
<I/σ(I)>	22.8
Completeness [%]	99.9	99.8
Redundancy	25.1
CC(1/2)	0.999	0.530

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	291	0.08 M Potassium chloride 0.02 M Barium chloride dehydrate 32% v/v (+/-)-2-Methyl-2,4-pentanediol 0.012 M Spermine tetrahydrochloride