9C6U

[d2d3] Tensegrity triangle with deazapurine center and helical strands (strands 2+3) with P63 symmetry

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)	0.92010
Spacegroup name	P 63
Unit cell lengths	125.393, 125.393, 59.368
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.760 - 5.000
R-factor	0.2499
Rwork	0.247
R-free	0.29460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.014
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]	33.760	33.761	5.495
High resolution limit [Å]	5.000	11.377	5.000
Number of reflections	1895	210	211
<I/σ(I)>	4.4	7.9	1.9
Completeness [%]	89.1
Redundancy	10.3
CC(1/2)	0.994	0.992	0.709

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	298	100 mM MOPS, 1.25 M magnesium sulfate