9EAE

Structure of Citrobacter BubCD(D104A)-BubB

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	2024-07-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97946
Spacegroup name	P 43 21 2
Unit cell lengths	135.350, 135.350, 172.797
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.350 - 2.530
R-factor	0.2476
Rwork	0.246
R-free	0.27110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.520
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]	106.554	2.569
High resolution limit [Å]	2.526	2.526
Rmerge	0.114	1.759
Number of reflections	54407	2638
<I/σ(I)>	14.2	1.6
Completeness [%]	100.0
Redundancy	13.6
CC(1/2)	0.998	0.757

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100 mM sodium cacodylate pH 7.0, 0.2 M MgCl2, 10% PEG 3000