6D7X

Crystal Structure of Rat TRPV6*-Y466A- in complex with brominated 2-Aminoethoxydiphenyl borate (2-APB-Br)

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	2017-02-06
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.92
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	46.537 - 3.600
R-factor	0.2839
Rwork	0.282
R-free	0.31560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wo7
RMSD bond length	0.003
RMSD bond angle	0.644
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.690
High resolution limit [Å]	3.600	3.600
Number of reflections	25909
<I/σ(I)>	9.41
Completeness [%]	97.7
Redundancy	17

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