8KBL

Structure of AcrIIA7 complexed with 1',3'-cADPR and cGG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-15
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.979
Spacegroup name	P 42 2 2
Unit cell lengths	63.729, 63.729, 63.153
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.680 - 1.980
R-factor	0.22
Rwork	0.219
R-free	0.23420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.596
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.710	2.030
High resolution limit [Å]	1.980	1.980
Rmerge	0.211	2.161
Rmeas	0.216
Rpim	0.044	0.427
Total number of observations	232505	18088
Number of reflections	9583	697
<I/σ(I)>	18.6	8.1
Completeness [%]	100.0
Redundancy	24.3	26
CC(1/2)	0.998	0.983

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.2 M Ammonium sulfate, 25% w/v Polyethylene glycol 4000