7JTB

CRYSTAL STRUCTURE OF NATIVE BOVINE ARRESTIN 1 IN COMPLEX WITH INOSITOL HEXAKISPHOSPHATE

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	2019-10-25
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97920
Spacegroup name	P 21 21 2
Unit cell lengths	167.300, 187.899, 90.378
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.200 - 2.600
R-factor	0.2064
Rwork	0.205
R-free	0.23830
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.005
RMSD bond angle	1.347
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	2.760
High resolution limit [Å]	2.600	2.600
Rmerge	0.136	2.233
Number of reflections	88202	14017
<I/σ(I)>	13.92
Completeness [%]	99.8	99.4
Redundancy	13.1
CC(1/2)	0.999	0.625

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	281	0.1 M Bis-Tris propane, 35% 2-Ethoxyethanol, 0.001 M Magnesium acetate, 0.0009 M Phytic acid sodium salt