8J8O

Structure of Acb2 complexed with 2',3'-cGAMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-08-24
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.979
Spacegroup name	P 3 2 1
Unit cell lengths	106.046, 106.046, 101.586
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.710 - 2.240
R-factor	0.2369
Rwork	0.235
R-free	0.27480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.832
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.280
High resolution limit [Å]	2.240	6.080	2.240
Rmerge	0.095	0.034	0.845
Rmeas	0.106	0.038	0.967
Rpim	0.048	0.017	0.463
Total number of observations	153797
Number of reflections	31815	1705	1484
<I/σ(I)>	7.6
Completeness [%]	99.5	98.7	94.3
Redundancy	4.8	4.8	3.9
CC(1/2)	1.000	0.999	0.805

Crystallization Conditions

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