8KBG

Structure of CbTad1 complexed with 2',3'-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	2023-07-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	71.900, 66.040, 89.370
Unit cell angles	90.00, 98.30, 90.00

Refinement procedure

Resolution	31.470 - 2.370
R-factor	0.2083
Rwork	0.206
R-free	0.24670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	2.028
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.570	2.430
High resolution limit [Å]	2.370	2.370
Rmerge	0.161	1.400
Rmeas	0.174	1.512
Rpim	0.066	0.567
Total number of observations	230965	17590
Number of reflections	33894	2488
<I/σ(I)>	10.2	1.8
Completeness [%]	99.9
Redundancy	6.8	7.1
CC(1/2)	0.996	0.552

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1 M MIB pH 6.0, 55% v/v MPD