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2G93

Ligand recognition site in C-lobe of lactoferrin: Crystal structure of the complex of C-lobe of bovine lactoferrin with methyl alpha-D-mannopyranoside at 1.9 A resolution

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU300
Temperature [K]293
Detector technologyIMAGE PLATE
Collection date2006-02-23
DetectorMARRESEARCH
Wavelength(s)1.5418
Spacegroup nameP 1 21 1
Unit cell lengths63.411, 50.439, 65.956
Unit cell angles90.00, 107.76, 90.00
Refinement procedure
Resolution20.000 - 1.900
R-factor0.18938
Rwork0.188
R-free0.22944
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1nkx
RMSD bond length0.009
RMSD bond angle1.400
Data reduction softwareDENZO
Phasing softwareAMoRE
Refinement softwareREFMAC (5.0)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0001.930
High resolution limit [Å]1.9001.900
Number of reflections29968
Completeness [%]96.192.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION6.52980.1M MES, PEG monomethyl ether 550, 0.1M ZnSO4, pH 6.5, VAPOR DIFFUSION, temperature 298K

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