9LIL
Crystal structure of the monkeypox virus N-tagged I7L protease in the I4 space group
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL10U2 |
| Synchrotron site | SSRF |
| Beamline | BL10U2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-10-24 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | I 4 |
| Unit cell lengths | 94.912, 94.912, 114.097 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 67.110 - 2.210 |
| R-factor | 0.1996 |
| Rwork | 0.198 |
| R-free | 0.23460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.580 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.17.1_3660: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.970 | 2.320 |
| High resolution limit [Å] | 2.210 | 2.210 |
| Rmerge | 0.319 | 4.399 |
| Rmeas | 0.332 | 4.587 |
| Rpim | 0.094 | 1.292 |
| Total number of observations | 313052 | 46188 |
| Number of reflections | 25443 | 3711 |
| <I/σ(I)> | 7.2 | 1.1 |
| Completeness [%] | 100.0 | |
| Redundancy | 12.3 | 12.4 |
| CC(1/2) | 0.995 | 0.397 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 15% PEG3350, 0.1 M Bis-Tris (pH 5.5), and 0.2 M potassium thiocyanate. |
