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6MU7

Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to Small Molecule HIV-1 Entry Inhibitor BMS-818251 in Complex with Human Antibodies 3H109L and 35O22 at 3.1 Angstrom

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 22-ID
Synchrotron siteAPS
Beamline22-ID
Temperature [K]100
Detector technologyCCD
Collection date2017-06-29
DetectorRAYONIX MX300-HS
Wavelength(s)1
Spacegroup nameP 63
Unit cell lengths131.510, 131.510, 314.340
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution43.047 - 2.501
R-factor0.2249
Rwork0.223
R-free0.26070
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwarePHASER
Refinement softwarePHENIX (1.13_2998)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]50.00050.0002.540
High resolution limit [Å]2.5006.7802.500
Rmerge0.0930.0550.659
Rmeas0.1110.0650.912
Rpim0.0590.0340.628
Total number of observations170402
Number of reflections582284692162
<I/σ(I)>6.7
Completeness [%]55.187.33.1
Redundancy2.93.11.3
CC(1/2)0.9800.486
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1EVAPORATION298150mM Ammonium Citrate pH7.5 7.5% PEG3,350 7.5% isopropanol

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