6IU4

Crystal structure of iron transporter VIT1 with cobalt ion

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-03
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.2800
Spacegroup name	C 2 2 21
Unit cell lengths	46.830, 290.770, 45.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.571 - 3.500
R-factor	0.311
Rwork	0.306
R-free	0.35560
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.571	43.571	3.710
High resolution limit [Å]	3.500	10.500	3.500
Rmerge	0.510	0.137	6.525
Rmeas	0.554	0.151	7.086
Total number of observations	25496
Number of reflections	7416	188	645
<I/σ(I)>	2.86	8.27	0.89
Completeness [%]	99.1	95.9	99.1
Redundancy	6.029	5.441	5.874
CC(1/2)	0.962	0.985	0.511

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	7	293	24-26% PEG 500DME, 0.1 M HEPES pH7.0, 0.25-30 M ammonium sulfate, 0.0004 M zinc cloride, 0.2 M sodium fluoride