8RMH

Crystal structure of parallel G-quadruplex containing T-tetrads and TG-octaplet

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I23
Synchrotron site	Diamond
Beamline	I23
Temperature [K]	293.15
Detector technology	PIXEL
Collection date	2023-09-18
Detector	DECTRIS PILATUS 12M
Wavelength(s)	1.1271
Spacegroup name	P 4 21 2
Unit cell lengths	40.436, 40.436, 40.479
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.480 - 1.150
R-factor	0.1536
Rwork	0.151
R-free	0.19000
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.277
Data reduction software	DIALS
Data scaling software	XSCALE
Phasing software	ACORN
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.480	1.170
High resolution limit [Å]	1.150	1.150
Number of reflections	12480	589
<I/σ(I)>	0.353
Completeness [%]	100.0
Redundancy	126.9
CC(1/2)	1.000	0.567

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	A solution containing DNA 1.8 mM, 0.02 M Sodium Cacodylate pH 5.5, 0.1 M NaCl, 0.01 mM MgCl2 was mixed 1:1 with a solution containing 0.2 M Potassium chloride, 0.05 M Sodium cacodylate trihydrate pH 5.9, 10% w/v Polyethylene glycol 4000 & 0.01 M Magnesium chloride hexahydrate.