6JJG

Crystal structure of a two-quartet DNA mixed-parallel/antiparallel G-quadruplex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97907
Spacegroup name	C 1 2 1
Unit cell lengths	48.654, 46.807, 36.843
Unit cell angles	90.00, 110.32, 90.00

Refinement procedure

Resolution	23.075 - 1.969
R-factor	0.2556
Rwork	0.254
R-free	0.27430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6jje
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.672	2.080
High resolution limit [Å]	1.969	1.969
Rpim	0.025	0.196
Number of reflections	5421
<I/σ(I)>	15.52
Completeness [%]	97.7
Redundancy	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	283	Potassium cacodylate, Potassium chloride, Sodium cacodylate, Spermine, Potassium bromide, MPD