6MUG
Crystal Structure of HIV-1 B41 SOSIP.664 Prefusion Env Trimer Bound to Small Molecule HIV-1 Entry Inhibitor BMS-386150 in Complex with Human Antibodies 3H109L and 35O22 at 3.8 Angstrom
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-08-22 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1 |
Spacegroup name | P 63 |
Unit cell lengths | 132.760, 132.760, 313.400 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 41.875 - 2.954 |
R-factor | 0.2326 |
Rwork | 0.230 |
R-free | 0.28950 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.980 |
High resolution limit [Å] | 2.930 | 7.940 | 2.930 |
Rmerge | 0.154 | 0.093 | 1.230 |
Rmeas | 0.185 | 0.115 | 1.440 |
Rpim | 0.100 | 0.066 | 0.735 |
Total number of observations | 68529 | ||
Number of reflections | 24712 | 2736 | 139 |
<I/σ(I)> | 5 | ||
Completeness [%] | 36.6 | 79.7 | 4.1 |
Redundancy | 2.8 | 2.6 | 3.6 |
CC(1/2) | 0.977 | 0.358 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 298 | 60mM Na Acetate pH5.5 4% PEG8,000 2%PEG400 300mM NaCl |