6DE7
Crystal Structure at 4.3 A Resolution of Glycosylated HIV-1 Clade A BG505 SOSIP.664 Prefusion Env Trimer with Interdomain Stabilization 113C-429GCG in Complex with Broadly Neutralizing Antibodies PGT122 and 35O22
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 | 2016-04-12 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1 |
| Spacegroup name | P 63 |
| Unit cell lengths | 128.655, 128.655, 312.918 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.112 - 4.123 |
| R-factor | 0.252 |
| Rwork | 0.248 |
| R-free | 0.25800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4tvp |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.746 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((dev_3126: ???)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 4.200 |
| High resolution limit [Å] | 4.100 | 10.090 | 4.100 |
| Rmerge | 0.182 | 0.121 | 0.726 |
| Rmeas | 0.193 | 0.129 | 0.801 |
| Rpim | 0.064 | 0.041 | 0.317 |
| Total number of observations | 111641 | ||
| Number of reflections | 16811 | 1509 | 634 |
| <I/σ(I)> | 7.4 | ||
| Completeness [%] | 75.6 | 99.1 | 44 |
| Redundancy | 6.6 | 9.3 | 3.4 |
| CC(1/2) | 0.968 | 0.733 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.5 | 293 | 24%PEG400, 3% PEG3350, 0.1M sodium acetate 5.5, 0.2M LiSO4 |
