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2DWH

Crystal structure of N-acetylglucosamine complex of bovine lactoferrin C-lobe at 2.8 A resolution

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU300
Temperature [K]298
Detector technologyIMAGE PLATE
Collection date2006-07-11
DetectorMARRESEARCH
Wavelength(s)1.5414
Spacegroup nameP 1 21 1
Unit cell lengths63.584, 50.488, 66.030
Unit cell angles90.00, 107.73, 90.00
Refinement procedure
Resolution20.000 - 2.800
R-factor0.194
Rwork0.194
R-free0.22800
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1nkx
RMSD bond length0.007
RMSD bond angle1.400
Data reduction softwareAUTOMAR
Data scaling softwareSCALEPACK
Phasing softwareAMoRE
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0002.900
High resolution limit [Å]2.8002.800
Number of reflections10194
<I/σ(I)>82
Completeness [%]99.196.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION6.52980.1M MES, 25% POLYETHYLENE GLYCOL MONOMETHYL ETHER 550, 0.01M ZINC SULPHATE, pH 6.5, VAPOR DIFFUSION, temperature 298K

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