8ZAS

Crystal structure of Adenine DNA aptamer bound with adenine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-01-06
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97915
Spacegroup name	C 1 2 1
Unit cell lengths	61.366, 26.929, 63.532
Unit cell angles	90.00, 96.38, 90.00

Refinement procedure

Resolution	31.570 - 2.540
R-factor	0.22
Rwork	0.218
R-free	0.27510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8k0w
RMSD bond length	0.005
RMSD bond angle	0.708
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]	31.570	2.631
High resolution limit [Å]	2.540	2.540
Rmerge	0.095	0.065
Rpim	0.061	0.045
Number of reflections	3530	319
<I/σ(I)>	6	0.6
Completeness [%]	95.3	87.28
Redundancy	6.7
CC(1/2)	0.994	0.773

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	291	0.08 M Sodium chloride, 0.02 M Magnesium chloride hexahydrate 0.04 M Sodium cacodylate trihydrate pH 6.0 35% v/v (+/-)-2-Methyl-2,4-pentanediol 0.012 M Spermine tetrahydrochloride