4X82

Crystal Structure of the Extracellular Domain of ZIP4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-25
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	34.182, 68.731, 93.971
Unit cell angles	90.00, 95.79, 90.00

Refinement procedure

Resolution	38.650 - 2.760
R-factor	0.2117
Rwork	0.206
R-free	0.26390
RMSD bond length	0.010
RMSD bond angle	1.440
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.900
High resolution limit [Å]	2.760	6.030	2.760
Rmerge	0.175	0.067	0.927
Rmeas	0.179	0.069	0.952
Rpim	0.038	0.015	0.214
Total number of observations	239259
Number of reflections	11028
<I/σ(I)>	5.4
Completeness [%]	99.4	99.8	94.9
Redundancy	21.7	21	18
CC(1/2)		0.999	0.917

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	18% PEG 3350, 50 mM NH4Cl