8EBO

Homopurine parallel G-quadruplex from human chromosome 7 stabilized by K+ ions

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	2021-12-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	F 2 2 2
Unit cell lengths	42.053, 47.474, 119.597
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.710 - 1.980
R-factor	0.2362
Rwork	0.231
R-free	0.27890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4g0f
RMSD bond length	0.014
RMSD bond angle	1.934
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX (1.19.2_4158)
Refinement software	PHENIX (1.18_3845)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.440	2.030
High resolution limit [Å]	1.980	1.980
Rmerge	0.049
Rmeas	0.054
Rpim	0.023	0.894
Number of reflections	4296	279
<I/σ(I)>	15.1	0.7
Completeness [%]	99.2	99.8
Redundancy	5.8	6.3
CC(1/2)	0.999	0.351

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		285.15	The well condition included 0.012 M NaCl, 0.08-0.1 M KCl, 0.04 M sodium cacodylate pH 5.5, 45% MPD, and 0.002 M hexammine cobalt(III) chloride