8D93

[2T7] Self-assembling tensegrity triangle with R3 symmetry at 2.96 A resolution, update and junction cut for entry 3GBI

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	2021-07-18
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1.007
Spacegroup name	H 3
Unit cell lengths	105.547, 105.547, 96.268
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.290 - 2.960
R-factor	0.1869
Rwork	0.185
R-free	0.22580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gbi
RMSD bond length	0.011
RMSD bond angle	1.410
Data reduction software	autoPROC
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	66.290	66.290	3.410
High resolution limit [Å]	2.960	10.420	2.960
Number of reflections	3342	196	199
<I/σ(I)>	9.8	36.8	3
Completeness [%]	57.0
Redundancy	10.4	10.8	10.3
CC(1/2)	1.000	0.999	0.920

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	293	40 mM Tris, 2 mM EDTA, 20 mM acetic acid, 125 mM magnesium acetate, 583 mM ammonium sulfate