9DIF

CBASS Pseudomonas syringae Cap5 tetramer with DNA duplex and 3'2'-c-GAMP cyclic dinucleotide ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-22
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.920105
Spacegroup name	C 2 2 21
Unit cell lengths	105.021, 194.171, 118.626
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.320 - 1.670
R-factor	0.1718
Rwork	0.170
R-free	0.21070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.283
Data reduction software	XDS (Jan 10, 2022 (BUILT 20220820))
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	97.086	1.941
High resolution limit [Å]	1.670	1.670
Rmerge	0.152
Number of reflections	69262	3464
<I/σ(I)>	8.5	2
Completeness [%]	94.3	70.3
Redundancy	8	6.4
CC(1/2)	0.995	0.598

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	293	10 mM tri-sodium citrate titrated to pH 9.0; 26-30% PEG6000