8H39

Structure of Acb2 complexed with c-di-AMP

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 S 9M
Wavelength(s)	0.979
Spacegroup name	P 3 2 1
Unit cell lengths	104.142, 104.142, 102.043
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	67.580 - 2.010
R-factor	0.2096
Rwork	0.208
R-free	0.23120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Alphafold2 model
Data reduction software	AutoProcess
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.580	2.110
High resolution limit [Å]	2.010	2.010
Number of reflections	43247	6272
<I/σ(I)>	21
Completeness [%]	100.0
Redundancy	20
CC(1/2)	1.000	0.863

Crystallization Conditions

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