7MP0

CRYSTAL STRUCTURE OF NATIVE BOVINE ARRESTIN 1 IN COMPLEX WITH 1D-MYO-INOSITOL 5-DIPHOSPHATE PENTAKISPHOSPHATE (5-PP IP5)

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	2020-11-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979460
Spacegroup name	P 21 21 2
Unit cell lengths	168.995, 186.822, 90.539
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.140 - 2.600
R-factor	0.2227
Rwork	0.222
R-free	0.24760
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	7jtb
RMSD bond length	0.004
RMSD bond angle	1.227
Data reduction software	XDS
Data scaling software	XDS
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.760
High resolution limit [Å]	2.600	2.600
Rmerge	0.081	1.772
Number of reflections	88724	14073
<I/σ(I)>	18.16	0.98
Completeness [%]	99.8
Redundancy	6.7
CC(1/2)	0.999	0.611

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	281	0.1 M Bis-tris propane pH 7, 35% 2-Ethoxyethanol, 0.001 M Magnesium acetate, 5 mM 1D-myo-inositol 5-diphosphate pentakisphosphate