7JSM

CRYSTAL STRUCTURE OF NATIVE BOVINE ARRESTIN 1

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	167.175, 186.967, 90.322
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.040 - 2.500
R-factor	0.2088
Rwork	0.208
R-free	0.23280
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3ugx
RMSD bond length	0.008
RMSD bond angle	1.518
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	2.650
High resolution limit [Å]	2.500	2.500
Rmerge	0.110	1.721
Number of reflections	98577	15684
<I/σ(I)>	10.93
Completeness [%]	99.9	99.8
Redundancy	6.5
CC(1/2)	0.998	0.520

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