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9FDB

Co-crystal structure of Galectin-3 with an 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 date2018-09-26
DetectorDECTRIS PILATUS 2M-F
Wavelength(s)1.00
Spacegroup nameP 21 21 21
Unit cell lengths34.486, 57.886, 62.417
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution31.228 - 1.450
Rwork0.180
R-free0.20990
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.003
RMSD bond angle2.435
Data reduction softwareautoPROC
Data scaling softwareautoPROC
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0425)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]31.2301.530
High resolution limit [Å]1.4501.450
Rmeas0.1511.440
Number of reflections19897995
<I/σ(I)>8.41.6
Completeness [%]87.2
Redundancy6.5
CC(1/2)0.9980.503
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP2931.8 M Ammonium citrate pH 7.0

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