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8RRB

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 date2019-08-21
DetectorDECTRIS PILATUS 2M
Wavelength(s)1.00
Spacegroup nameP 21 21 21
Unit cell lengths36.490, 56.900, 61.070
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution41.603 - 1.200
Rwork0.161
R-free0.17710
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.004
RMSD bond angle1.220
Data reduction softwareautoPROC
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0419)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]41.6301.060
High resolution limit [Å]1.0001.000
Rmeas0.0571.114
Number of reflections6887510629
<I/σ(I)>14.491.25
Completeness [%]99.396.1
Redundancy5.95
CC(1/2)0.9990.532
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP2932.1 M DL-Malic acid pH 7.0

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