7XHD

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	29.403, 30.917, 31.584
Unit cell angles	98.19, 97.15, 109.13

Refinement procedure

Resolution	24.540 - 1.660
R-factor	0.185
Rwork	0.182
R-free	0.21160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7xdh
RMSD bond length	0.008
RMSD bond angle	0.980
Data reduction 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]	24.540	1.720
High resolution limit [Å]	1.660	1.660
Number of reflections	11663	1117
<I/σ(I)>	9.76
Completeness [%]	96.2
Redundancy	3.6
CC(1/2)	0.998	0.935

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.002 M Copper(II) chloride dihydrate, 0.05 M TRIS hydrochloride pH 8.5, 1.8 M Lithium sulfate monohydrate, 0.0005 M Spermine