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2A6K

Crystal Structure Analysis of the germline antibody 36-65 Fab in complex with the dodecapeptide SLGDNLTNHNLR

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU200
Temperature [K]120
Detector technologyIMAGE PLATE
Collection date2003-08-10
DetectorMARRESEARCH
Wavelength(s)1.5418
Spacegroup nameP 1 21 1
Unit cell lengths53.135, 144.920, 70.991
Unit cell angles90.00, 104.35, 90.00
Refinement procedure
Resolution50.000 - 3.000
R-factor0.246
Rwork0.245
R-free0.26400
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.010
RMSD bond angle1.735
Data reduction softwareAUTOMAR
Phasing softwareAMoRE
Refinement softwareCNS (1.0)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0003.110
High resolution limit [Å]3.0003.000
Rmerge0.123
Number of reflections19662
<I/σ(I)>4
Completeness [%]94.995.9
Redundancy3.04
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.729820% PEG 8000, cacodylate, azide, pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

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