6IU3

Crystal structure of iron transporter VIT1 with zinc ions

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	2016-09-26
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0000
Spacegroup name	C 2 2 21
Unit cell lengths	46.900, 290.240, 45.860
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.373 - 2.700
R-factor	0.2796
Rwork	0.277
R-free	0.30500
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHARP
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.375	48.383	2.797
High resolution limit [Å]	2.700	5.814	2.700
Rmerge	0.113	0.058	1.378
Total number of observations	115869
Number of reflections	16510	993	873
<I/σ(I)>	14.5139	41.4791	1.6334
Completeness [%]	99.6
Redundancy	12.782	13.0866	13.4387
CC(1/2)	0.998	0.996	0.898

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