6TVW
Structure of native gp41 derived peptide fusion inhibitor
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-11-06 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.918400 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 44.706, 44.706, 208.857 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 69.619 - 1.450 |
| Rwork | 0.234 |
| R-free | 0.29830 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.501 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | ACORN |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 69.700 | 1.470 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rpim | 0.048 | |
| Number of reflections | 14813 | 713 |
| <I/σ(I)> | 6.5 | 1.2 |
| Completeness [%] | 99.9 | |
| Redundancy | 13.5 | |
| CC(1/2) | 0.997 | 0.887 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293.15 | PEG 3350, ammonium sulfate |
