9HAH
Structure of the F13 protein of Vaccinia virus in complex with tecovirimat
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-06-10 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.978565 |
| Spacegroup name | F 4 3 2 |
| Unit cell lengths | 281.068, 281.068, 281.068 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.360 - 2.600 |
| R-factor | 0.1726 |
| Rwork | 0.171 |
| R-free | 0.20080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.325 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.360 | 2.720 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 29791 | 3565 |
| <I/σ(I)> | 19.9 | |
| Completeness [%] | 100.0 | |
| Redundancy | 42.1 | |
| CC(1/2) | 0.990 | 0.510 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 1 M Na3 citrate, 0.1 M Imidazole pH 8 (cryoprotected with 33% glycerol, soaked with 1 mM tecovirimat) |
