9C6H

[d3] Tensegrity triangle with deazapurine center strand (strand 3) in R3

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]	100
Detector technology	PIXEL
Collection date	2024-06-02
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.920105
Spacegroup name	H 3
Unit cell lengths	107.520, 107.520, 88.789
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.130 - 4.180
R-factor	0.2177
Rwork	0.216
R-free	0.25300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.137
Data reduction software	autoPROC
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	32.718	32.718	4.632
High resolution limit [Å]	4.176	10.018	4.176
Number of reflections	1952	195	195
<I/σ(I)>	12.6
Completeness [%]	85.7
Redundancy	5.3	5.2	5.2
CC(1/2)	1.000	1.000	0.276

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	100 mM MOPS, 1.25 M magnesium sulfate