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3TUS

Crystal Structure of C-lobe of Bovine lactoferrin Complexed with Meta-hydroxy benzoic acid at 2.5 A Resolution

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU300
Temperature [K]298
Detector technologyIMAGE PLATE
Collection date2011-09-04
DetectorMARRESEARCH
Wavelength(s)1.541
Spacegroup nameP 1 21 1
Unit cell lengths62.431, 50.492, 65.404
Unit cell angles90.00, 107.32, 90.00
Refinement procedure
Resolution39.260 - 2.500
R-factor0.218
Rwork0.218
R-free0.24100
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3ib0
RMSD bond length0.013
RMSD bond angle2.000
Data reduction softwareAUTOMAR
Phasing softwareAMoRE
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]39.2602.590
High resolution limit [Å]2.5002.500
Number of reflections12573
<I/σ(I)>8.42
Completeness [%]92.295.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.52980.01M Znso4, 0.1M MES, 25% PEG, Monomethyl Ether 550 , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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