9UK6

Dimeric parallel G-quadruplex formed by d(G4C2)4

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	2024-05-26
Detector	DECTRIS PILATUS3 R 1M
Wavelength(s)	0.91776
Spacegroup name	I 41
Unit cell lengths	64.036, 64.036, 33.293
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.560 - 1.940
R-factor	0.24635
Rwork	0.242
R-free	0.28380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ecg
RMSD bond length	0.003
RMSD bond angle	1.394
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.060
High resolution limit [Å]	1.940	5.780	1.940
Rmerge	0.148	0.054	2.417
Rmeas	0.154	0.057	2.511
Number of reflections	5104	211	809
<I/σ(I)>	12.16	39.5	1.14
Completeness [%]	99.8	98.6	99.4
Redundancy	12.76	9.89	13.52
CC(1/2)	0.999	1.000	0.507

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	289	0.1 M Potassium chloride, 0.05 M Sodium cacodylate trihydrate at pH 6.0, 16% w/v Polyethylene glycol 1,000, and 0.0005 M Spermine