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7MP2

CRYSTAL STRUCTURE OF NATIVE BOVINE ARRESTIN 1 IN COMPLEX WITH 1D-MYO-INOSITOL 1,5-BISDIPHOSPHATE TETRAKISPHOSPHATE (1,5-PP IP4)

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRL BEAMLINE BL12-2
Synchrotron siteSSRL
BeamlineBL12-2
Temperature [K]100
Detector technologyPIXEL
Collection date2020-11-18
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.979460
Spacegroup nameP 21 21 2
Unit cell lengths168.900, 187.094, 90.385
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution49.160 - 3.000
R-factor0.2114
Rwork0.210
R-free0.24550
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)7jtb
RMSD bond length0.004
RMSD bond angle1.243
Data reduction softwareXDS
Data scaling softwareXDS
Phasing softwareREFMAC
Refinement softwareREFMAC (5.8.0267)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0003.180
High resolution limit [Å]3.0003.000
Rmerge0.2043.623
Number of reflections581029152
<I/σ(I)>12.710.69
Completeness [%]99.798.7
Redundancy13.3
CC(1/2)0.9990.596
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP72810.1 M Bis-Tris propane, 35% 2-Ethoxyethanol, 0.001 mM Magnesium acetate, 5 mM 1D-MYO-INOSITOL 1,5-BISDIPHOSPHATE TETRAKISPHOSPHATE

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