5IWR

Structure of Transient Receptor Potential (TRP) channel TRPV6 in the presence of barium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-03-24
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.75
Spacegroup name	P 4 21 2
Unit cell lengths	144.350, 144.350, 113.370
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.556 - 3.850
R-factor	0.2846
Rwork	0.283
R-free	0.32310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2rfa
RMSD bond length	0.011
RMSD bond angle	1.904
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.560	3.990
High resolution limit [Å]	3.850	3.850
Rmerge	0.131	2.285
Number of reflections	21705
<I/σ(I)>	15.2	1.5
Completeness [%]	99.5	95.4
Redundancy	15.4	13.9
CC(1/2)	0.980

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	20-24% PEG 350 MME, 50 mM NaCl, and 50 mM Tris-HCl pH 8.0-8.5