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8RR9

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 date2022-02-05
DetectorDECTRIS PILATUS 2M
Wavelength(s)1.00
Spacegroup nameP 21 21 21
Unit cell lengths34.470, 57.480, 62.250
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution31.144 - 1.250
Rwork0.157
R-free0.18810
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.006
RMSD bond angle1.475
Data reduction softwareautoPROC
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0419)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]42.2311.330
High resolution limit [Å]1.2501.250
Rmeas1.7800.066
Number of reflections6581110647
<I/σ(I)>8.90.6
Completeness [%]99.5
Redundancy3.27
CC(1/2)0.9990.238
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP2931.8 M Ammonium citrate pH 7.0

245663

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