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4LSV

Crystal structure of broadly and potently neutralizing antibody 3BNC117 in complex with HIV-1 clade C C1086 gp120

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 22-ID
Synchrotron siteAPS
Beamline22-ID
Temperature [K]100
Detector technologyCCD
Collection date2011-10-14
DetectorMARMOSAIC 300 mm CCD
Spacegroup nameI 4 2 2
Unit cell lengths191.615, 191.615, 103.950
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution47.320 - 3.000
R-factor0.262
Rwork0.260
R-free0.29900
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.002
RMSD bond angle0.589
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwarePHENIX (dev_998)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0003.020
High resolution limit [Å]2.8402.840
Rmerge0.0910.524
Number of reflections22670
<I/σ(I)>17.463.32
Completeness [%]98.595.5
Redundancy7.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
16.52930.1M imidazole, 11% PEG 3350, 0.5M NaCl, 0.2M MgCl2, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K

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