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1HKD

Structure of pea lectin in complex with alpha-methyl-D-glucopyranoside

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsELLIOTT GX-6
Temperature [K]293
Detector technologyIMAGE PLATE
Collection date2002-06-15
DetectorMARRESEARCH
Spacegroup nameP 21 21 21
Unit cell lengths50.793, 61.235, 136.005
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution27.950 - 2.090
R-factor0.165
Rwork0.163
R-free0.20900
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2ltn
RMSD bond length0.007
RMSD bond angle1.305
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareMOLREP
Refinement softwareREFMAC (5.1.24)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0002.030
High resolution limit [Å]2.0002.000
Rmerge0.0580.420
Number of reflections30005
<I/σ(I)>17.91.92
Completeness [%]95.483.5
Redundancy2.82.19
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
171.7 M AMMONIUM SULFATE, 10% (V/V) ETHANOL, pH 7.00

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