9EA5

Structure of Citrobacter BubCD D104A mutant

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 1 21 1
Unit cell lengths	65.868, 73.064, 98.399
Unit cell angles	90.00, 108.72, 90.00

Refinement procedure

Resolution	39.290 - 2.000
R-factor	0.1738
Rwork	0.172
R-free	0.20710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.571
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]	39.290	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.123	0.893
Number of reflections	59172	4350
<I/σ(I)>	12
Completeness [%]	98.9
Redundancy	6.9
CC(1/2)	0.998	0.783

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	100 mM Tris pH 8.5, 0.1 M sodium acetate, 10% Isopropanol, 28% PEG 3350