8F87
Crystal structure of Ebola Zaire envelope glycoprotein GP in complex with compound ARN75092
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 19-ID |
Synchrotron site | NSLS-II |
Beamline | 19-ID |
Temperature [K] | 291 |
Detector technology | PIXEL |
Collection date | 2022-08-11 |
Detector | DECTRIS EIGER2 XE 9M |
Wavelength(s) | 0.97949 |
Spacegroup name | H 3 2 |
Unit cell lengths | 113.199, 113.199, 306.021 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 51.000 - 2.600 |
R-factor | 0.2181 |
Rwork | 0.218 |
R-free | 0.22820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6nae |
RMSD bond length | 0.004 |
RMSD bond angle | 0.581 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 93.360 | 2.670 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.101 | 1.406 |
Rmeas | 0.103 | 1.440 |
Rpim | 0.022 | 0.312 |
Total number of observations | 505303 | 36486 |
Number of reflections | 23674 | 1722 |
<I/σ(I)> | 22.2 | 2.4 |
Completeness [%] | 100.0 | |
Redundancy | 21.3 | 21.2 |
CC(1/2) | 0.999 | 0.928 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 291 | Proplex E2: 8% PEG8000, 0.1 M citrate, pH 5.0, 6.9 mg/mL EbzaA.19907.a.HE11.PD38351, plate: 12752-well E2 drop 2, Puck: PSL-1001, cryoprotectant: 16% PEG8000, 20% glycerol, 0.08 M citrate, pH 5.0, originally obtained from the complex with ARN75231, crystals were soaked in 5 mM ARN75092, 16% PEG8000, 0.1 M citrate, pH 5.0 for 24 hours before freezing |