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1JOJ

CONCANAVALIN A-HEXAPEPTIDE COMPLEX

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU200
Detector technologyIMAGE PLATE
Spacegroup nameC 2 2 21
Unit cell lengths102.685, 118.384, 253.593
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution10.000 - 3.000
R-factor0.186

*

Rwork0.186
R-free0.23100
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5cna
RMSD bond length0.011
RMSD bond angle1.800
Data scaling softwareSCALEPACK
Phasing softwareAMoRE
Refinement softwareCNS (0.5)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]3.130
High resolution limit [Å]3.0003.000
Rmerge0.1010.257

*

Number of reflections23957
<I/σ(I)>10.65.37
Completeness [%]78.171.8
Redundancy3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion, hanging drop

*

9

*

Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropprotein0.32 (mM)
21droppeptide20-fold molar excess
31reservoirammonium sulfatepH9.0
41reservoirTris50 (mM)

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PDB entries from 2025-07-23

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