8EDP

Crystal structure of a three-tetrad, parallel, and K+ stabilized homopurine G-quadruplex from human chromosome 7

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 EIGER2 X 16M
Wavelength(s)	0.97918
Spacegroup name	P 2 21 21
Unit cell lengths	30.583, 40.927, 56.018
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.010 - 2.010
R-factor	0.2468
Rwork	0.243
R-free	0.27810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4g0f
RMSD bond length	0.008
RMSD bond angle	1.483
Data reduction software	XDS
Data scaling software	Aimless (1.19.2_4158)
Phasing software	PHENIX
Refinement software	PHENIX (1.18_3845)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.020	2.060
High resolution limit [Å]	2.010	2.010
Number of reflections	5027	374
<I/σ(I)>	8.8
Completeness [%]	98.2
Redundancy	5.4
CC(1/2)	0.986	0.447

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298.15	0.05M MES 6.5, 0.3M potassium chloride, 40% MPD, 0.005M Hexaammine cobalt chloride