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 |