6TZR

A DNA G-quadruplex/i-motif hybrid

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]	100
Detector technology	PIXEL
Collection date	2018-10-25
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9196
Spacegroup name	P 32 2 1
Unit cell lengths	37.099, 37.099, 98.309
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.560 - 2.400
R-factor	0.2178
Rwork	0.212
R-free	0.25380
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.482
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	SHELXCD
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.770	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.084	0.865
Rmeas	0.090	0.917
Rpim	0.032	0.298
Total number of observations	30095	3381
Number of reflections	3399	358
<I/σ(I)>	11	1.8
Completeness [%]	99.9	100
Redundancy	8.9	9.4
CC(1/2)	1.000	0.984

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	295	25% PEG 400, 40 mM barium chloride, 10 mM spermidine, 30 mM Bis-Tris pH 8.5; Equilibrated against 5% PEG 400 and 3 ul of glacial acetic acid