9PHL

[A4J-A] Asymmetric tensegrity triangle containing a semi-junction formed via in crystallo hybridization

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-05-28
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.979338
Spacegroup name	P 1
Unit cell lengths	68.736, 68.516, 69.701
Unit cell angles	95.78, 96.66, 104.32

Refinement procedure

Resolution	51.420 - 6.250
R-factor	0.2374
Rwork	0.236
R-free	0.26060
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.970
Data reduction software	autoPROC
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	65.783	65.783	7.837
High resolution limit [Å]	6.250	14.656	6.254
Number of reflections	1382	197	197
<I/σ(I)>	2.9
Completeness [%]	78.7
Redundancy	2.3
CC(1/2)	0.983	0.986	0.047

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	100 mM MOPS, 1.25 M magnesium sulfate