7LYY
Crystal Structure of Ebola zaire Envelope glycoprotein GP in complex with compound ARN0075164
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2021-02-08 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97872 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 114.400, 114.400, 307.890 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.160 - 2.750 |
| R-factor | 0.188 |
| Rwork | 0.183 |
| R-free | 0.22500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6f5u |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.667 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.820 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.060 | 0.597 |
| Number of reflections | 20588 | 1504 |
| <I/σ(I)> | 18.6 | 2.84 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 5.511 | 5.66 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 287 | Molecular Dimensions / Calibre Proplex screen e2: 100mM sodium citrate pH 5.0, 8% (w/V) PEG 8000: EbzaA.19907.a.HE11.PD38351 at 10.61 mg/ml + 1mM compound AN75164/BSI110991: tray 313199e2, cryo: 20% EG + 5mM compound: puck puk2-8 |
