6HRO
Crystal structure of Ebolavirus glycoprotein in complex with inhibitor 118a
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-01-29 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9282 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 115.120, 115.120, 308.860 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 83.759 - 2.300 |
| R-factor | 0.1818 |
| Rwork | 0.180 |
| R-free | 0.21200 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.634 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | REFMAC |
| Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 83.760 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.098 | |
| Number of reflections | 35437 | |
| <I/σ(I)> | 36.5 | 1.4 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 91 | 16.8 |
| CC(1/2) | 1.000 | 0.751 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.2 | 293 | CRYSTALLIZATION CONDITIONS: 9% (W/V) PEG 6000 AND 0.1 M SODIUM CITRATE TRIBASIC DIHYDRATE |
