8TAA

Right-left hybrid parallel G-quadruplex in complex with N-methyl mesoporphyrin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	196
Detector technology	PIXEL
Collection date	2022-10-29
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97918
Spacegroup name	P 41 21 2
Unit cell lengths	30.897, 30.897, 141.543
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.390 - 1.450
R-factor	0.2125
Rwork	0.211
R-free	0.23070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.728
Phasing software	PHENIX (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	141.540	1.470
High resolution limit [Å]	1.450	1.450
Rmerge	0.049	1.789
Rmeas	0.051	1.866
Rpim	0.015	0.523
Number of reflections	13141	647
<I/σ(I)>	21	1.2
Completeness [%]	100.0	100
Redundancy	12.2
CC(1/2)	0.999	0.678

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	2mM Spermine, 45% MPD, 0.08M Nacl, 0.04M NaCaCo pH 6.0