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2JDM

Mutant (S22A) of Pseudomonas aeruginosa lectin II (PA-IIL) complexed with methyl-a-L-fucopyranoside

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID14-2
Synchrotron siteESRF
BeamlineID14-2
Temperature [K]100
Detector technologyCCD
Collection date2006-02-26
DetectorADSC CCD
Spacegroup nameP 1 21 1
Unit cell lengths52.674, 73.090, 54.917
Unit cell angles90.00, 94.25, 90.00
Refinement procedure
Resolution54.800 - 1.700
R-factor0.177
Rwork0.174
R-free0.22300
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1uzv
RMSD bond length0.011
RMSD bond angle1.289
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwareMOLREP
Refinement softwareREFMAC (5.2.0019)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]34.6701.740
High resolution limit [Å]1.7001.700
Rmerge0.0800.320
Number of reflections43407
<I/σ(I)>14.43.5
Completeness [%]95.492.4
Redundancy3.73.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
18.50.2 M LITHIUM MONOHYDRATE SULFATE,0.1 M TRIS HYDROCLORIDE (PH 8.5), 30% PEG 4000, (PA-IIL/A-L-ME-FUC COMPLEX WAS OBTAINED BY SOAKING METHOD FROM FUCOSE-CONTAINING CRISTAL)

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