6G95
Crystal structure of Ebolavirus glycoprotein in complex with thioridazine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-12-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 113.970, 113.970, 305.660 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 51.971 - 2.310 |
| R-factor | 0.185 |
| Rwork | 0.184 |
| R-free | 0.21080 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.767 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 82.900 | 2.350 |
| High resolution limit [Å] | 2.310 | 2.310 |
| Rmerge | 0.083 | |
| Number of reflections | 33894 | 1662 |
| <I/σ(I)> | 30.8 | 1.6 |
| Completeness [%] | 99.8 | 99.6 |
| Redundancy | 35.6 | 10.5 |
| CC(1/2) | 1.000 | 0.670 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.2 | 293 | 9% (w/v) PEG 6000 and 0.1 M Sodium citrate tribasic dihydrate |
