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3V5A

Crystal Structure of C-lobe of Bovine Lactoferrin Complexed with Gamma Amino Butyric Acid at 1.44 A Resolution

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE BM14
Synchrotron siteESRF
BeamlineBM14
Temperature [K]77
Detector technologyCCD
Collection date2011-11-09
DetectorMARRESEARCH
Wavelength(s)0.97
Spacegroup nameP 1 21 1
Unit cell lengths62.577, 49.933, 65.401
Unit cell angles90.00, 107.30, 90.00
Refinement procedure
Resolution31.830 - 1.440
R-factor0.16299
Rwork0.161
R-free0.19135
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3ib0
RMSD bond length0.030
RMSD bond angle2.734
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareAMoRE
Refinement softwareREFMAC (5.6.0117)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.460
High resolution limit [Å]1.4401.440
Number of reflections69791
<I/σ(I)>31.62
Completeness [%]99.397.2
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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