6F6N
CRYSTAL STRUCTURE OF EBOLAVIRUS GLYCOPROTEIN IN COMPLEX WITH SERTRALINE
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 | 2016-05-14 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 114.250, 114.250, 306.190 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 60.540 - 2.150 |
| R-factor | 0.1849 |
| Rwork | 0.184 |
| R-free | 0.20350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5jq3 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.689 |
| 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] | 60.540 | 2.190 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.110 | |
| Number of reflections | 42259 | 2065 |
| <I/σ(I)> | 34.2 | 1.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 66 | 14.2 |
| CC(1/2) | 1.000 | 0.708 |
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 |
