6HS4
Crystal structure of Ebolavirus glycoprotein in complex with inhibitor 118
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 PILATUS3 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 114.160, 114.160, 305.458 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 57.080 - 2.050 |
| R-factor | 0.1915 |
| Rwork | 0.190 |
| R-free | 0.21980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6f5u |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.799 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | REFMAC |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.080 | 2.090 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.063 | |
| Number of reflections | 47703 | |
| <I/σ(I)> | 21.1 | 1.1 |
| Completeness [%] | 98.4 | 90.4 |
| Redundancy | 15.8 | 6 |
| CC(1/2) | 0.999 | 0.435 |
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 |
