9PLB

JLM3 left-handed, parallel G-quadruplex in P1 21 1 Spacegroup

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	196
Detector technology	PIXEL
Collection date	2025-06-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.688790
Spacegroup name	P 1 21 1
Unit cell lengths	24.628, 46.178, 28.320
Unit cell angles	90.00, 115.62, 90.00

Refinement procedure

Resolution	23.090 - 0.880
R-factor	0.1455
Rwork	0.145
R-free	0.15630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.188
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHENIX (1.21.2_5419)
Refinement software	PHENIX (1.21.1_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.090	0.893
High resolution limit [Å]	0.878	0.878
Rmerge	0.104	1.280
Rmeas	0.119	1.483
Rpim	0.059	0.735
Number of reflections	45563	2241
<I/σ(I)>	7.6	1.4
Completeness [%]	100.0	100
Redundancy	4	4
CC(1/2)	0.996	0.286

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	285	0.08 M Calcium chloride, 0.04 M Sodium Cacodylate 6.5, 0.012 M Spermine tetrahydrochloride, 37% w/v MPD