8H2J

Structure of Acb2 complexed with 3',3'-cGAMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-X
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-25
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.5418
Spacegroup name	P 3 2 1
Unit cell lengths	103.464, 103.464, 101.596
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	12.870 - 2.400
Rwork	0.244
R-free	0.28000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Alphafold2 model
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.20.1-4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	12.870	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.083	0.416
Number of reflections	24846	2485
<I/σ(I)>	31.83
Completeness [%]	99.2	98.4
Redundancy	22.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	PEG 3350, Sodium bromide