6JJH

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I23
Synchrotron site	Diamond
Beamline	I23
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-27
Detector	DECTRIS PILATUS 12M
Wavelength(s)	1.7712
Spacegroup name	P 1 2 1
Unit cell lengths	29.856, 23.647, 31.052
Unit cell angles	90.00, 107.59, 90.00

Refinement procedure

Resolution	29.600 - 1.740
R-factor	0.2418
Rwork	0.239
R-free	0.29140
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.403
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	HKL2Map
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.600	2.310	1.800
High resolution limit [Å]	1.740	2.190	1.740
Rmerge	0.021	0.338	0.340
Number of reflections	4377	254	431
<I/σ(I)>	15.6	3.8	1.76
Completeness [%]	99.5		98.6
Redundancy	6.24
CC(1/2)	1.000	0.915	0.842

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	283	Potassium cacodylate, Potassium chloride, Sodium cacodylate, MPD
1	VAPOR DIFFUSION, HANGING DROP	6.5	283	Potassium cacodylate, Potassium chloride, Sodium cacodylate, MPD