8SM3

Structure of Bacillus cereus VD045 Gabija GajA-GajB Complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	193
Detector technology	PIXEL
Collection date	2022-10-19
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9792
Spacegroup name	P 62 2 2
Unit cell lengths	215.791, 215.791, 173.807
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.240 - 3.000
R-factor	0.2381
Rwork	0.237
R-free	0.26600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.442
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	AutoSol
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.240	3.100
High resolution limit [Å]	3.000	3.000
Rmerge	0.163	3.069
Number of reflections	48144	4353
<I/σ(I)>	15.4
Completeness [%]	100.0	100
Redundancy	18.1
CC(1/2)	0.999	0.624

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	100 mM HEPES-NaOH pH 7.5, 2.4% PEG-400, and 2.2 M ammonium sulfate