9FM5
PvSub1 Catalytic Domain in Complex with Peptidomimetic Inhibitor (AL-97)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 2 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-01-29 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.979338 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.201, 106.067, 72.159 |
| Unit cell angles | 90.00, 90.51, 90.00 |
Refinement procedure
| Resolution | 22.870 - 1.597 |
| R-factor | 0.1973 |
| Rwork | 0.196 |
| R-free | 0.22420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.000 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.870 | 1.620 |
| High resolution limit [Å] | 1.597 | 1.600 |
| Rmerge | 1.650 | |
| Number of reflections | 203470 | 4970 |
| <I/σ(I)> | 2.67 | |
| Completeness [%] | 97.2 | |
| Redundancy | 3.5 | |
| CC(1/2) | 0.933 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.5 M LiSO4, 15% W/V PEG8000 |
