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 |