8KBH

Structure of CbTad1 complexed with 2',3'-cGAMP and cA3

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	C 1 2 1
Unit cell lengths	140.725, 81.244, 128.586
Unit cell angles	90.00, 106.23, 90.00

Refinement procedure

Resolution	35.120 - 1.540
R-factor	0.2323
Rwork	0.231
R-free	0.26020
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.245
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]	35.130	1.580
High resolution limit [Å]	1.540	1.540
Rmerge	0.199	1.140
Rmeas	0.218
Rpim	0.089	0.591
Total number of observations	1251059	72068
Number of reflections	205128	15133
<I/σ(I)>	5.8	1.6
Completeness [%]	100.0
Redundancy	6.1	4.8
CC(1/2)	0.965	0.280

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1 M PCTP pH 8.0, 60% MPD