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5RW3

INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2064898339

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04-1
Synchrotron siteDiamond
BeamlineI04-1
Temperature [K]100
Detector technologyPIXEL
Collection date2019-08-03
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.91589
Spacegroup nameP 21 21 21
Unit cell lengths62.650, 79.480, 89.490
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution51.380 - 1.370
R-factor0.1719
Rwork0.171
R-free0.19600
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)6xy7
RMSD bond length0.009
RMSD bond angle1.606
Data reduction softwareXDS
Data scaling softwareAimless (0.7.4)
Phasing softwareREFMAC
Refinement softwareREFMAC (5.8.0238)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]79.48079.4801.410
High resolution limit [Å]1.3706.1301.370
Rmerge0.1090.0411.671
Rmeas0.1190.0451.831
Rpim0.0460.0180.741
Total number of observations614362750041587
Number of reflections94464
<I/σ(I)>9311
Completeness [%]100.099.9100
Redundancy6.56.26
CC(1/2)0.9980.9980.428
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP6.529330 mM sodium nitrate, 30 mM dibasic sodium phosphate, 30 mM ammonium sulfate, 100 mM MES/imidazole, pH 6.5, 20% PEG500 MME, 10% PEG20000

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