7X7G

Crystal structure of a dimeric interlocked parallel G-quadruplex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	90
Detector technology	PIXEL
Collection date	2021-11-19
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.95
Spacegroup name	P 1 21 1
Unit cell lengths	26.173, 31.247, 49.893
Unit cell angles	90.00, 102.90, 90.00

Refinement procedure

Resolution	48.630 - 2.190
R-factor	0.2575
Rwork	0.256
R-free	0.26850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1y8d
RMSD bond length	0.009
RMSD bond angle	2.023
Data scaling software	autoPROC
Phasing software	PHENIX (1.19.2-4158-000)
Refinement software	PHENIX (1.19.2-4158-000)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.630	2.268
High resolution limit [Å]	2.190	2.190
Number of reflections	8264	4149
<I/σ(I)>	9.82
Completeness [%]	97.6
Redundancy	2
CC(1/2)	1.000	0.985

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.01 M magnesium chloride hexahydrate, 0.05 M HEPES sodium pH 7.5, 15% v/v (+/-)-2-methyl-2,4-pentanediol, 0.0015 M spermine