6I96

Structure of the ferrioxamine B transporter FoxA from Pseudomonas aeruginosa in complex with ferrioxamine B

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-05
Detector	DECTRIS PILATUS 300K
Wavelength(s)	0.976
Spacegroup name	P 32 2 1
Unit cell lengths	94.890, 94.890, 177.612
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	82.180 - 1.850
R-factor	0.183
Rwork	0.181
R-free	0.21910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.027
RMSD bond angle	3.183
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	82.180	1.880
High resolution limit [Å]	1.850	1.850
Rmerge	0.152	1.288
Rmeas	0.156	1.449
Rpim	0.051
Number of reflections	79352	4129
<I/σ(I)>	11.2	1
Completeness [%]	99.2	92.6
Redundancy	17	4.7
CC(1/2)	0.988	0.279

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	1.8M Ammonium sulfate, 0.1M HEPES pH 7.5