7JXA

CRYSTAL STRUCTURE OF NATIVE BOVINE ARRESTIN 1 IN COMPLEX WITH INOSITOL 1,4,5-TRIPHOSPHATE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979460
Spacegroup name	P 21 21 2
Unit cell lengths	167.782, 187.278, 90.540
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.140 - 2.400
R-factor	0.212
Rwork	0.210
R-free	0.24890
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.003
RMSD bond angle	1.258
Data reduction software	XDS
Data scaling software	XDS
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.540
High resolution limit [Å]	2.400	2.400
Rmerge	0.086	2.626
Number of reflections	112146	17835
<I/σ(I)>	16.35
Completeness [%]	99.6	99.1
Redundancy	6.8
CC(1/2)	0.999	0.313

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	281	0.1 M Bis-Tris propane, 35% 2-Ethoxyethanol, 0.0025 M NaCl; 0.005 M IP3 overnight soak