6D7Q

Crystal Structure of Rat TRPV6*-Y466A 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	2016-11-16
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9791
Spacegroup name	P 4 21 2
Unit cell lengths	145.187, 145.187, 115.897
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.934 - 3.497
R-factor	0.2764
Rwork	0.275
R-free	0.30600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wo7
RMSD bond length	0.002
RMSD bond angle	0.602
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.920
High resolution limit [Å]	3.497	3.500
Number of reflections	28168
<I/σ(I)>	7.54
Completeness [%]	94.7
Redundancy	8.4	8.5

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