8KBE

Structure of CbTad1 complexed with 1',3'-cADPR

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	2023-07-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 21 3
Unit cell lengths	101.090, 101.090, 101.090
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.970 - 2.160
R-factor	0.2071
Rwork	0.205
R-free	0.25020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7uaw
RMSD bond length	0.006
RMSD bond angle	1.275
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.740	2.220
High resolution limit [Å]	2.160	2.160
Rmerge	0.070	1.232
Rmeas	0.071
Rpim	0.012	0.293
Total number of observations	660157	24972
Number of reflections	18785	1399
<I/σ(I)>	31.3	2.3
Completeness [%]	100.0
Redundancy	35.1	17.8
CC(1/2)	1.000	0.791

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	3.2 M Ammonium sulfate, 0.1 M Citrate pH 5.0