5U7M
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 PGT122 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 | 2014-11-04 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1.0 |
Spacegroup name | P 63 |
Unit cell lengths | 129.195, 129.195, 312.081 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.817 - 3.025 |
R-factor | 0.2476 |
Rwork | 0.245 |
R-free | 0.28880 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.515 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.070 |
High resolution limit [Å] | 3.000 | 3.000 |
Number of reflections | 34985 | |
<I/σ(I)> | 8.7 | |
Completeness [%] | 59.7 | 17.8 |
Redundancy | 2.9 | 3 |
CC(1/2) | 0.826 | 0.450 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 6% ISOPROPANOL, 5.32% PEG1500, 0.2M LISO4, 0.1M SODIUM ACETATE PH 5.5 |