7XDH

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 9M
Wavelength(s)	0.953659
Spacegroup name	P 1
Unit cell lengths	25.685, 30.340, 56.493
Unit cell angles	79.02, 83.36, 78.20

Refinement procedure

Resolution	29.260 - 1.830
R-factor	0.2297
Rwork	0.227
R-free	0.25320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1y8d
RMSD bond length	0.008
RMSD bond angle	0.940
Data scaling software	XDS
Phasing software	PHENIX (1.19.2-4158-000)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.260	1.857
High resolution limit [Å]	1.826	1.826
Number of reflections	13916	1413
<I/σ(I)>	11.98
Completeness [%]	95.0
Redundancy	4.2
CC(1/2)	0.999	0.962

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.08 M Sodium chloride, 0.02 M Magnesium chloride hexahydrate, 0.04 M Sodium cacodylate trihydrate pH 7.0, 40% v/v (+/-)-2-Methyl-2,4-pentanediol, 0.012 M Spermine tetrahydrochloride