8SMF

Structure of SPO1 phage Tad2 in complex with 1''-3' gcADPR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	193
Detector technology	PIXEL
Collection date	2023-02-06
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97911
Spacegroup name	C 1 2 1
Unit cell lengths	94.389, 82.472, 90.757
Unit cell angles	90.00, 107.88, 90.00

Refinement procedure

Resolution	46.060 - 1.750
R-factor	0.2088
Rwork	0.208
R-free	0.24140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8sme
RMSD bond length	0.004
RMSD bond angle	0.793
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	AutoSol
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.060	1.780
High resolution limit [Å]	1.750	1.750
Rpim	0.057	0.630
Number of reflections	65939	3546
<I/σ(I)>	6.5	1.1
Completeness [%]	98.8	97.1
Redundancy	5.2	4.7
CC(1/2)	0.996	0.634

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	magnesium nitrate, PEG 3350