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8RRF

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 date2022-12-30
DetectorDECTRIS PILATUS 2M
Wavelength(s)1.00
Spacegroup nameP 21 21 21
Unit cell lengths34.480, 57.320, 61.640
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution30.092 - 1.250
Rwork0.174
R-free0.19790
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.004
RMSD bond angle1.625
Data reduction softwareautoPROC
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0419)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0921.220
High resolution limit [Å]1.1501.150
Rmeas0.0611.700
Number of reflections8284213022
<I/σ(I)>9.730.77
Completeness [%]98.895.9
Redundancy3.37
CC(1/2)0.9990.260
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP2931.8 M Ammonium citrate pH 7.0

246031

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