8B43

Crystal structure of ferrioxamine transporter

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	2022-03-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976
Spacegroup name	P 32 2 1
Unit cell lengths	95.411, 95.411, 177.984
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	59.330 - 2.490
R-factor	0.2192
Rwork	0.217
R-free	0.25890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6i96
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.18.1_3865)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	82.628	2.810
High resolution limit [Å]	2.489	2.489
Rmerge	0.180	1.910
Rmeas	0.185
Rpim	0.043	0.506
Number of reflections	20915	1045
<I/σ(I)>	16	1.8
Completeness [%]	94.1	74.4
Redundancy	18.1	14.5
CC(1/2)	0.998	0.727

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		293	1.8 M ammonium sulfate 0.1 M MES pH 6.5 0.7% octyl glucoside