8C9K
Structure of Mpox virus poxin
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 | 2023-01-11 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.430, 94.130, 94.670 |
Unit cell angles | 90.00, 105.26, 90.00 |
Refinement procedure
Resolution | 41.090 - 1.720 |
R-factor | 0.2138 |
Rwork | 0.214 |
R-free | 0.22840 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.717 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX (1.20.1_4487) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.090 | 1.782 |
High resolution limit [Å] | 1.720 | 1.720 |
Number of reflections | 200402 | 20469 |
<I/σ(I)> | 8.71 | 0.84 |
Completeness [%] | 99.4 | |
Redundancy | 3.4 | |
CC(1/2) | 0.998 | 0.462 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 100 mM HEPES pH 7.5, 10% (w/v) PEG 8000 |