8IXZ

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

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	2022-11-17
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.979
Spacegroup name	P 3 2 1
Unit cell lengths	104.045, 104.045, 101.141
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.790 - 2.330
R-factor	0.2328
Rwork	0.231
R-free	0.27380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	2.484
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	2.360
High resolution limit [Å]	2.320	6.290	2.320
Rmerge	0.081	0.040	0.584
Rmeas	0.084	0.041	0.608
Rpim	0.020	0.010	0.165
Number of reflections	27614	1500	1352
<I/σ(I)>	10.9
Completeness [%]	100.0	99.9	100
Redundancy	17.6	16.5	13.1
CC(1/2)	1.000	0.998	0.975

Crystallization Conditions

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