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2NN8

Crystal structure of human galectin-3 carbohydrate-recognition domain with lactose bound, at 1.35 angstrom resolution

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 8.3.1
Synchrotron siteALS
Beamline8.3.1
Temperature [K]100
Detector technologyCCD
Collection date2005-11-15
DetectorADSC QUANTUM 4
Wavelength(s)1.1159
Spacegroup nameP 21 21 21
Unit cell lengths36.371, 57.800, 62.603
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution27.620 - 1.350
R-factor0.16476
Rwork0.164
R-free0.17490
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)1a3k
RMSD bond length0.007
RMSD bond angle1.287
Data reduction softwareMOSFLM
Data scaling softwareCCP4 ((SCALA))
Phasing softwareAMoRE
Refinement softwareREFMAC (5.2.0019)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]42.4901.420
High resolution limit [Å]1.3501.350
Rmerge0.0360.210
Number of reflections29182
<I/σ(I)>11.53.4
Completeness [%]98.389.9
Redundancy3.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP729331% PEG 6000, 100mM MgCL2, 8mM beta mercaptoethanol, 100mM Tris-HCL, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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