9DIH

CBASS Pseudomonas syringae Cap5 tetramer with DNA duplex and 3'2'-c-diAMP 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	2023-04-01
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.920085
Spacegroup name	C 2 2 21
Unit cell lengths	103.697, 191.527, 118.435
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.880 - 1.940
R-factor	0.1722
Rwork	0.171
R-free	0.21830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	1.542
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	95.763	2.181
High resolution limit [Å]	1.940	1.940
Rmerge	0.097
Number of reflections	57760	2890
<I/σ(I)>	9.8	1.8
Completeness [%]	94.7
Redundancy	5.9
CC(1/2)	0.998	0.998

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 and 26-30% PEG6000