8FMH

Structure of CBASS Cap5 from Pseudomonas syringae as an activated tetramer with the cyclic dinucleotide 3'2'-c-dGAMP ligand (2 tetramers 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)	0.920105
Spacegroup name	P 1 21 1
Unit cell lengths	67.970, 295.678, 84.052
Unit cell angles	90.00, 113.79, 90.00

Refinement procedure

Resolution	38.450 - 1.870
R-factor	0.212
Rwork	0.210
R-free	0.25330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8fmf
RMSD bond length	0.003
RMSD bond angle	0.615
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]	147.839	2.112
High resolution limit [Å]	1.870	1.871
Rmerge	0.125	0.753
Number of reflections	151543	7577
<I/σ(I)>	6.9
Completeness [%]	93.6
Redundancy	4
CC(1/2)	0.994	0.644

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