9GAR

Siderophore-binding lipoprotein XusB from Barnesiella viscericola

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-03-10
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	0.9686
Spacegroup name	I 41 2 2
Unit cell lengths	184.869, 184.869, 82.309
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.330 - 3.200
R-factor	0.2357
Rwork	0.234
R-free	0.27680
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.001
RMSD bond angle	0.383
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHENIX (1.21.1_5286)
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.460	3.430
High resolution limit [Å]	3.200	3.200
Rpim	0.104	0.444
Number of reflections	12010	2123
<I/σ(I)>	6.8	1.8
Completeness [%]	99.9	99.3
Redundancy	27.3
CC(1/2)	0.988	0.751

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	0.2M ammonium sulfate, 0.1M sodium acetate, 23-35% PEG 2000 MME