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 |