9EA8

Citrobacter BubCD(D104A)-BubA(155-229) complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-04-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97946
Spacegroup name	P 43 21 2
Unit cell lengths	96.636, 96.636, 135.204
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.310 - 2.340
R-factor	0.2393
Rwork	0.238
R-free	0.26820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.611
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]	39.310	2.420
High resolution limit [Å]	2.340	2.340
Rmerge	0.060	1.634
Number of reflections	27750	2663
<I/σ(I)>	25.8	1.7
Completeness [%]	100.0
Redundancy	13.4
CC(1/2)	1.000	0.720

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	100 mM MES pH 6.0, 2.2 M sodium acetate pH 7.0