8IY2

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-15
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	1
Spacegroup name	P 3 2 1
Unit cell lengths	103.427, 103.427, 101.487
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.970 - 2.760
R-factor	0.2462
Rwork	0.244
R-free	0.29280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	2.027
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.20_4459: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.810
High resolution limit [Å]	2.760	7.480	2.760
Rmerge	0.126	0.032	0.954
Rmeas	0.133	0.034	1.012
Rpim	0.042	0.011	0.334
Total number of observations	162997
Number of reflections	16565	902	824
<I/σ(I)>	7.7
Completeness [%]	99.7	98.4	100
Redundancy	9.8	8.8	8.9
CC(1/2)	0.998	1.000	0.886

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG 3350, Sodium bromide