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2JE7

Crystal structure of recombinant Dioclea guianensis lectin S131H complexed with 5-bromo-4-chloro-3-indolyl-a-D-mannose

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE BM14
Synchrotron siteESRF
BeamlineBM14
Temperature [K]100
Detector technologyCCD
Collection date2005-11-24
DetectorMARRESEARCH
Spacegroup nameI 2 2 2
Unit cell lengths65.661, 88.014, 91.536
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution63.500 - 1.650
R-factor0.156
Rwork0.154
R-free0.20100
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1h9w
RMSD bond length0.012
RMSD bond angle1.474
Data reduction softwareMOSFLM
Data scaling softwareSCALEPACK
Phasing softwareMOLREP
Refinement softwareREFMAC (5.2.0019)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]44.0001.740
High resolution limit [Å]1.6501.650
Rmerge0.0500.360
Number of reflections31757
<I/σ(I)>8.43
Completeness [%]98.899.3
Redundancy3.13
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
17CRYSTALS WERE GROWN WITH 0.6M NACL, 0.1 HEPES, PH 7.0.

222036

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