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9HGY

E-selectin complexed with glycomimetic ligand BW1030

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSLS BEAMLINE X06SA
Synchrotron siteSLS
BeamlineX06SA
Temperature [K]100
Detector technologyPIXEL
Collection date2015-04-20
DetectorDECTRIS PILATUS 6M
Wavelength(s)1.00003
Spacegroup nameC 1 2 1
Unit cell lengths93.080, 72.910, 52.340
Unit cell angles90.00, 94.34, 90.00
Refinement procedure
Resolution20.050 - 2.500
R-factor0.2228
Rwork0.221
R-free0.26680
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.010
RMSD bond angle1.230
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwareBUSTER (2.10.0)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]57.3002.750
High resolution limit [Å]2.5002.500
Rmerge0.0860.960
Rpim0.0540.580
Number of reflections119582934
<I/σ(I)>9.21.3
Completeness [%]98.197.1
Redundancy3.53.6
CC(1/2)0.9990.690
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP6.22930.2M CaCl2, 0.1 M Mops pH 6.2, 11-14% PEG8000, after microseeding

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