6I97

Structure of the ferrioxamine B transporter FoxA from Pseudomonas aeruginosa in complex with ferrioxamine B and a C-terminal TonB fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.033
Spacegroup name	P 21 21 21
Unit cell lengths	163.639, 174.404, 214.114
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	135.220 - 3.350
R-factor	0.2311
Rwork	0.229
R-free	0.26380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.021
RMSD bond angle	2.541
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]	48.840	3.410
High resolution limit [Å]	3.350	3.350
Rmerge	0.286	1.800
Rpim	0.130	0.848
Number of reflections	88597	4510
<I/σ(I)>	5.6	1
Completeness [%]	100.0	100
Redundancy	6.7	6.5
CC(1/2)	0.993	0.389

Crystallization Conditions

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