7XH9

Crystal structure of a dimeric interlocked parallel G-quadruplex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	90
Detector technology	PIXEL
Collection date	2022-03-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953659
Spacegroup name	P 1
Unit cell lengths	26.436, 30.341, 30.350
Unit cell angles	62.15, 79.96, 79.97

Refinement procedure

Resolution	20.330 - 1.630
R-factor	0.2271
Rwork	0.225
R-free	0.24660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7xdh
RMSD bond length	0.008
RMSD bond angle	0.951
Data scaling software	XDS
Phasing software	PHENIX (1.19.2_4158)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.330	1.642
High resolution limit [Å]	1.586	1.586
Number of reflections	9790	961
<I/σ(I)>	8.91
Completeness [%]	94.6
Redundancy	3.5
CC(1/2)	0.996	0.922

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.08 M Strontium chloride hexahydrate, 0.02 M Magnesium chloride hexahydrate, 0.04 M Sodium cacodylate trihydrate pH 7.0, 20% v/v (+/-)-2-Methyl-2,4-pentanediol, 0.012 M Spermine tetrahydrochloride