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4LSU

Crystal structure of broadly and potently neutralizing antibody VRC-PG20 in complex with HIV-1 clade A/E 93TH057 gp120

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 22-ID
Synchrotron siteAPS
Beamline22-ID
Temperature [K]100
Detector technologyCCD
Collection date2011-12-16
DetectorMAR CCD 300 mm
Spacegroup nameC 1 2 1
Unit cell lengths164.283, 66.313, 95.108
Unit cell angles90.00, 108.34, 90.00
Refinement procedure
Resolution45.140 - 2.300
R-factor0.182
Rwork0.179
R-free0.23400
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.008
RMSD bond angle1.147
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwarePHASER
Refinement softwarePHENIX (dev_998)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.340
High resolution limit [Å]2.3002.300
Rmerge0.0950.393
Number of reflections39655
<I/σ(I)>10.3
Completeness [%]90.744.6
Redundancy3.21.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
172930.1 M HEPES, pH 7.0, 9% PEG 4000, 8% isopropanol, 0.01M CaCl2,, VAPOR DIFFUSION, SITTING DROP, temperature 293K

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