8FMF

Structure of CBASS Cap5 from Pseudomonas syringae as an activated tetramer with the cyclic dinucleotide 3'2'-c-diAMP ligand (1 tetramer in the AU)

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	2022-03-21
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.92010
Spacegroup name	P 32 2 1
Unit cell lengths	83.536, 83.536, 401.960
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	66.990 - 2.100
R-factor	0.1921
Rwork	0.190
R-free	0.23670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.557
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	133.987	2.320
High resolution limit [Å]	2.100	2.100
Rmerge	0.251	1.961
Number of reflections	64199	3211
<I/σ(I)>	8.8
Completeness [%]	94.8
Redundancy	12
CC(1/2)	0.996	0.595

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M Bis-Tris, pH 5.5-6.0, 0.2 M magnesium chloride, 19-20% PEG3350