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 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 | 2017-06-29 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1 |
Spacegroup name | P 63 |
Unit cell lengths | 131.510, 131.510, 314.340 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.047 - 2.501 |
R-factor | 0.2249 |
Rwork | 0.223 |
R-free | 0.26070 |
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 | 2.540 |
High resolution limit [Å] | 2.500 | 6.780 | 2.500 |
Rmerge | 0.093 | 0.055 | 0.659 |
Rmeas | 0.111 | 0.065 | 0.912 |
Rpim | 0.059 | 0.034 | 0.628 |
Total number of observations | 170402 | ||
Number of reflections | 58228 | 4692 | 162 |
<I/σ(I)> | 6.7 | ||
Completeness [%] | 55.1 | 87.3 | 3.1 |
Redundancy | 2.9 | 3.1 | 1.3 |
CC(1/2) | 0.980 | 0.486 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 298 | 150mM Ammonium Citrate pH7.5 7.5% PEG3,350 7.5% isopropanol |