6JJI

Crystal structure of a two-quartet RNA parallel G-quadruplex complexed with the porphyrin TMPyP4 (1:1)

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)	0.97900
Spacegroup name	P 2 2 21
Unit cell lengths	23.509, 29.244, 57.557
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	16.042 - 3.100
R-factor	0.195
Rwork	0.193
R-free	0.24970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6jjh
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]	16.042	3.210
High resolution limit [Å]	3.100	3.100
Rmerge	0.108	0.403
Number of reflections	825	79
<I/σ(I)>	8.6
Completeness [%]	96.6
Redundancy	9.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	283	Potassium cacodylate, Sodium cacodylate, Potassium chloride, MPD