6F6S
CRYSTAL STRUCTURE OF EBOLAVIRUS GLYCOPROTEIN IN COMPLEX WITH benztropine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-05-13 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 114.379, 114.379, 305.749 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 60.515 - 2.290 |
| R-factor | 0.2083 |
| Rwork | 0.207 |
| R-free | 0.23280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5jq3 |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.557 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | REFMAC |
| Refinement software | PHENIX ((dev_2940: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.515 | 2.330 |
| High resolution limit [Å] | 2.290 | 2.290 |
| Rmerge | 0.063 | |
| Number of reflections | 35081 | 1727 |
| <I/σ(I)> | 21.9 | 1.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 18.4 | 10.8 |
| CC(1/2) | 1.000 | 0.795 |
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 |
