9O70

Motif1-Motif2, two domain left-handed parallel G-quadruplex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	196
Detector technology	PIXEL
Collection date	2024-09-17
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.920105
Spacegroup name	C 2 2 21
Unit cell lengths	55.944, 122.741, 103.138
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.370 - 2.020
R-factor	0.2282
Rwork	0.226
R-free	0.26030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.216
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHENIX (1.21.2_5419)
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.370	2.060
High resolution limit [Å]	2.020	2.020
Rmerge	0.162	2.308
Number of reflections	23606	1169
<I/σ(I)>	8.1
Completeness [%]	100.0
Redundancy	13.5
CC(1/2)	0.998	0.409

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	285	0.2 M potassium chloride 5 mM Hexammine cobalt chloride 0.05 M MES pH 6.5 25% PEG 4000