9MXO

Motif2-Motif1 Left-handed parallel G-quadruplex in H3 Spacegroup

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)	0.920119
Spacegroup name	H 3
Unit cell lengths	104.649, 104.649, 65.365
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.340 - 1.680
R-factor	0.1736
Rwork	0.172
R-free	0.20210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.023
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]	30.341	1.711
High resolution limit [Å]	1.680	1.682
Rmerge	0.118	4.450
Rmeas	0.130	5.068
Number of reflections	29303	1636
<I/σ(I)>	8.6
Completeness [%]	100.0	99.8
Redundancy	10.6	8.6
CC(1/2)	0.998	0.414

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	285	0.05 M Potassium chloride, 0.005 M Spermine tetrahydrochloride, 0.05 M Bis-Tris 7.0, 33% w/v PEG 4000