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3LEK

Lectin Domain of Lectinolysin complexed with Lewis B Antigen

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU MICROMAX-007 HF
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2008-05-06
DetectorRIGAKU RAXIS IV
Wavelength(s)1.54
Spacegroup nameP 43 21 2
Unit cell lengths67.010, 67.010, 97.650
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution34.000 - 2.000
R-factor0.20414
Rwork0.202
R-free0.23709
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3leo
RMSD bond length0.016
RMSD bond angle1.480
Data reduction softwared*TREK
Data scaling softwared*TREK (9.4SSI)
Phasing softwarePHASER (1.3.2)
Refinement softwareREFMAC
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]34.00067.0102.070
High resolution limit [Å]2.0004.3102.000
Rmerge0.1160.0510.414
Number of reflections15696
<I/σ(I)>10.622.84.1
Completeness [%]99.999.5100
Redundancy11.3810.3211.48
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP8.52942M MgSO4, 100mM Tris, pH 8.5, vapor diffusion, hanging drop, temperature 294K

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