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9HGX

E-selectin complexed with glycomimetic ligand BW1025

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 lengths93.030, 73.220, 52.360
Unit cell angles90.00, 93.59, 90.00
Refinement procedure
Resolution57.490 - 2.750
R-factor0.2031
Rwork0.201
R-free0.25200
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.010
RMSD bond angle1.250
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwareBUSTER (2.10.0)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]57.4902.900
High resolution limit [Å]2.7502.750
Rmerge0.1521.270
Rpim0.1090.750
Number of reflections91861474
<I/σ(I)>5.80.9
Completeness [%]99.798.5
Redundancy3.13
CC(1/2)0.9940.586
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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