7M2D
Crystal Structure of Ebola zaire Envelope glycoprotein GP in complex with compound ARN0074953
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 | 2021-02-04 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97872 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 115.110, 115.110, 309.020 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.440 - 2.700 |
| R-factor | 0.192 |
| Rwork | 0.189 |
| R-free | 0.22500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6f5u |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.655 |
| 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 | 2.770 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.066 | 0.655 |
| Number of reflections | 22091 | 1625 |
| <I/σ(I)> | 19.49 | 2.88 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 7.885 | 8.12 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 287 | Molecular Dimensions / Calibre Proplex screen b3: 200mM sodium acetate trihydrate, 100mM sodium citrate pH 5.5, 10% (w/V) PEG 4000: EbzaA.19907.a.HE11.PD38351 at 10.61 mg/ml + 1mM compound AN0074953/BSI110987: tray 313163b3, cryo: 20% ethylene glycol + 5mM compound: puck auf7-9 |
