9EA4

Structure of Citrobacter BubCD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-08-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 32 2 1
Unit cell lengths	78.498, 78.498, 159.295
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.250 - 1.800
R-factor	0.1602
Rwork	0.159
R-free	0.18490
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.847
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]	39.250	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.118	1.423
Number of reflections	53524	3126
<I/σ(I)>	14.3
Completeness [%]	99.9	99.5
Redundancy	10	9
CC(1/2)	0.999	0.618

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	100 mM HEPES pH 7.5, 0.2 M K/Na tartrate, 10% Isopropanol, 20% PEG 3350