9URR

Crystal structure of Ade1301 DNA aptamer (two strands) bound to AMP

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	2025-01-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979176
Spacegroup name	P 21 21 21
Unit cell lengths	27.590, 37.815, 123.891
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.930 - 1.790
R-factor	0.236
Rwork	0.234
R-free	0.27420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.934
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.950	1.890
High resolution limit [Å]	1.790	1.790
Rmerge	0.139	3.480
Rpim	0.045	1.311
Number of reflections	12033	1681
<I/σ(I)>	11.3
Completeness [%]	92.9
Redundancy	11
CC(1/2)	0.998	0.421

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	0.2 M Calcium chloride dihydrate, 0.05 M HEPES sodium pH 8.2, 32% v/v Polyethylene glycol 400, 0.002 M Spermine