6TVQ
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 | 44.875, 44.875, 209.645 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.240 - 1.450 |
| Rwork | 0.188 |
| R-free | 0.24260 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.710 |
| 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] | 38.241 | 1.480 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.152 | |
| Rpim | 0.048 | |
| Number of reflections | 14982 | 742 |
| <I/σ(I)> | 8 | 0.9 |
| Completeness [%] | 100.0 | |
| Redundancy | 11.1 | |
| CC(1/2) | 0.997 | 0.669 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 292.15 | Ammonium sulfate, PEG 3350, Bis-Tris |
