7MOR

CRYSTAL STRUCTURE OF NATIVE BOVINE ARRESTIN 1 IN COMPLEX WITH 5-METHYLENEBIPHOSPHONATE INOSITOL PENTAKISPHAOPHATE (5-PCP IP5)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-08-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979358
Spacegroup name	P 21 21 2
Unit cell lengths	169.681, 187.398, 90.926
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.470 - 2.800
R-factor	0.2161
Rwork	0.215
R-free	0.24560
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	7jtb
RMSD bond length	0.004
RMSD bond angle	1.230
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	2.970
High resolution limit [Å]	2.800	2.800
Rmerge	0.124	2.340
Number of reflections	71781	11401
<I/σ(I)>	14.95
Completeness [%]	99.9	99.6
Redundancy	8.37
CC(1/2)	0.999	0.605

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, 10 mM 5-Methylenebisphosphonate inositol pentakisphosphate