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2P8M

Crystal structure of the HIV-1 Cross Neutralizing Monoclonal Antibody 2F5 in complex with gp41 Peptide ELLELDKWASLWN in new crystal form

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU300
Temperature [K]110
Detector technologyIMAGE PLATE
Collection date2006-05-01
DetectorRIGAKU RAXIS IV
Spacegroup nameP 21 21 21
Unit cell lengths63.800, 76.600, 93.900
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution46.950 - 2.700
R-factor0.223
Rwork0.223
R-free0.23800
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.008
RMSD bond angle1.800
Data reduction softwareCrystalClear ((MSC/RIGAKU))
Data scaling softwareCrystalClear ((MSC/RIGAKU))
Phasing softwareCNS
Refinement softwareCNS (1.0)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.000
High resolution limit [Å]2.7002.700
Rmerge0.1200.317
Number of reflections13025
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP5.6293The Fab' fragment is first dialysed against 10mM NaPhosphate, pH 6.9, 0.05% Tween-20. Then, it is crystallized with conditions 0.1M NaCitrate, 20% 2-propanol, and 16-20% PEG 4K, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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