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8RRE

Galectin-3 with a small molecule inhibitor

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSLS BEAMLINE X06DA
Synchrotron siteSLS
BeamlineX06DA
Temperature [K]100
Detector technologyPIXEL
Collection date2021-06-28
DetectorDECTRIS PILATUS 2M
Wavelength(s)1.00
Spacegroup nameP 21 21 21
Unit cell lengths34.518, 57.531, 62.116
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution42.208 - 1.208
Rwork0.156
R-free0.18820
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.010
RMSD bond angle1.650
Data reduction softwareautoPROC
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0419)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]42.2091.280
High resolution limit [Å]1.2081.208
Rmeas2.200
Number of reflections7273211467
<I/σ(I)>0.0830.58
Completeness [%]98.9
Redundancy2.94
CC(1/2)0.9990.185
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP2932.1 M DL-Malic acid pH 7.0

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