6D7O

Crystal Structure of Rat TRPV6* in complex with 2-Aminoethoxydiphenyl borate (2-APB)

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	2016-09-07
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9791
Spacegroup name	P 4 21 2
Unit cell lengths	145.384, 145.384, 116.162
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.005 - 3.450
R-factor	0.2862
Rwork	0.285
R-free	0.31560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wo7
RMSD bond length	0.002
RMSD bond angle	0.588
Data reduction software	XDS
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.600
High resolution limit [Å]	3.400	3.400
Rmeas	0.130	1.409
Number of reflections	16642	1434
<I/σ(I)>	11.44
Completeness [%]	94.9	93.3
Redundancy	8.5	6.7
CC(1/2)	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	293	20-24% PEG 350 MME, 50 mM NaCl, and 50 mM Tris-HCl pH 8.0-8.5