6KFL

Crystal structure of a two-quartet DNA G-quadruplex complexed with the porphyrin TMPyP4

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	2019-04-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.03923
Spacegroup name	C 1 2 1
Unit cell lengths	48.152, 47.192, 38.133
Unit cell angles	90.00, 113.15, 90.00

Refinement procedure

Resolution	35.063 - 1.920
R-factor	0.2207
Rwork	0.218
R-free	0.26170
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	1.989
High resolution limit [Å]	1.920	1.920
Rmerge	0.046	0.354
Number of reflections	5961	487
<I/σ(I)>	23.81
Completeness [%]	96.2
Redundancy	6.1	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	283	KCaco,Nacaco,KCl,NaCl,hexammine cobalt(III) chloride,MPD