6JJE

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.91944
Spacegroup name	C 1 2 1
Unit cell lengths	44.786, 47.454, 37.782
Unit cell angles	90.00, 109.96, 90.00

Refinement procedure

Resolution	31.490 - 1.378
R-factor	0.1976
Rwork	0.196
R-free	0.22500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6jjf
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.428
High resolution limit [Å]	1.378	1.378
Rmerge	0.063	0.289
Number of reflections	15296
<I/σ(I)>	11.536
Completeness [%]	99.2	99.6
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		283	Potassium cacodylate,Sodium cacodylate,Potassium chloride,Sodium chloride,hexammine cobalt(III) chloride,MPD