6MTJ
Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to Small Molecule HIV-1 Entry Inhibitor BMS-378806 in Complex with Human Antibodies 3H109L and 35O22 at 2.9 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 | 2017-06-10 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1 |
Spacegroup name | P 63 |
Unit cell lengths | 132.180, 132.180, 316.290 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.266 - 2.336 |
R-factor | 0.2354 |
Rwork | 0.233 |
R-free | 0.28150 |
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 | 2.370 |
High resolution limit [Å] | 2.330 | 6.320 | 2.330 |
Rmerge | 0.139 | 0.087 | 0.665 |
Rmeas | 0.155 | 0.096 | 0.889 |
Rpim | 0.068 | 0.041 | 0.585 |
Total number of observations | 355894 | ||
Number of reflections | 71849 | 6345 | 101 |
<I/σ(I)> | 6 | ||
Completeness [%] | 54.0 | 94.3 | 1.5 |
Redundancy | 5 | 5.1 | 1.7 |
CC(1/2) | 0.984 | 0.491 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 298 | 75mM Imidazole pH6.5 3.75% MPD 6.25% PEG 3,350 150mM LiSO4 |