7LYD
Crystal Structure of Ebola zaire Envelope glycoprotein GP in complex with compound ARN0075146
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 | 2019-11-14 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97872 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 114.170, 114.170, 308.720 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.630 - 2.350 |
| R-factor | 0.179 |
| Rwork | 0.177 |
| R-free | 0.20500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6f5u |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.736 |
| 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 | 2.410 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.054 | 0.565 |
| Number of reflections | 32679 | 2366 |
| <I/σ(I)> | 22.26 | 2.96 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.824 | 6.91 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 287 | Molecular Dimensions/Calibre Morpheus screen A11: 10% (w/V) PEG 4000, 20% (V/V) glycerol, 30mM of each magnesium chloride and calcium chloride, 100mM bicine/Trizma base pH 8.5: EbzaA.19907.a.HE11.PD38351 at 10.61 mg/ml: over night soak with 1mM compound ARN0075146 (BSI110990): tray 313149a11, cryo: direct: puck hdp6-5 |
