9EAV

Structure of Citrobacter BubCD(D104A/Y370F)-BubB-BubA(155-229)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-05-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97946
Spacegroup name	P 43 21 2
Unit cell lengths	136.837, 136.837, 172.816
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.210 - 1.930
R-factor	0.1842
Rwork	0.183
R-free	0.20360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.232
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.450	1.960
High resolution limit [Å]	1.930	1.930
Rmerge	0.080	1.855
Number of reflections	123100	6024
<I/σ(I)>	17.3	1.6
Completeness [%]	100.0
Redundancy	13.8
CC(1/2)	0.999	0.609

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.24 M sodium malonate pH 7.0 and 15% PEG 3350