8P44
Crystal structure of monkeypox virus poxin in complex with the STING agonist MD1202D
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-05-11 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.212, 91.222, 93.098 |
Unit cell angles | 90.00, 90.03, 90.00 |
Refinement procedure
Resolution | 46.860 - 1.930 |
R-factor | 0.2243 |
Rwork | 0.222 |
R-free | 0.26090 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.744 |
Data reduction software | XDS (xdsapp v3.1.9) |
Data scaling software | XDS (xdsapp v3.1.9) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.860 | 1.999 |
High resolution limit [Å] | 1.930 | 1.930 |
Rmerge | 0.205 | 2.153 |
Rmeas | 0.222 | 2.321 |
Rpim | 0.083 | 0.862 |
Number of reflections | 66736 | 6613 |
<I/σ(I)> | 8.17 | 1 |
Completeness [%] | 97.9 | 97.66 |
Redundancy | 7 | 7.1 |
CC(1/2) | 0.997 | 0.502 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 200 mM ammonium nitrate, 20% w/v PEG 3.350 |