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2DVA

Crystal structure of peanut lectin GAL-BETA-1,3-GALNAC-ALPHA-O-ME (Methyl-T-antigen) complex

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU200
Temperature [K]100
Detector technologyIMAGE PLATE
DetectorMAR scanner 345 mm plate
Wavelength(s)1.5418
Spacegroup nameP 21 21 2
Unit cell lengths126.590, 124.620, 75.780
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution19.940 - 2.200
R-factor0.197
Rwork0.197
R-free0.25000
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2pel
RMSD bond length0.006
RMSD bond angle1.400
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareAMoRE
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0002.280
High resolution limit [Å]2.2002.200
Rmerge0.0920.494
Number of reflections60730
<I/σ(I)>12.44.7
Completeness [%]98.899.8
Redundancy8.48.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.52887.5% PEG 8000, 0.025M Sodium cadodylate, 0.5M ammonium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 288K

217705

數據於2024-03-27公開中

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