8QKJ
PvSub1 Catalytic Domain in Complex with Peptidomimetic Inhibitor (MAM-133)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-09-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 1 |
| Unit cell lengths | 53.360, 55.130, 69.170 |
| Unit cell angles | 68.79, 78.31, 74.92 |
Refinement procedure
| Resolution | 25.770 - 1.767 |
| R-factor | 0.1862 |
| Rwork | 0.185 |
| R-free | 0.20230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.950 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.016 | 1.797 |
| High resolution limit [Å] | 1.767 | 1.767 |
| Number of reflections | 65557 | 3174 |
| <I/σ(I)> | 10.8 | |
| Completeness [%] | 94.9 | |
| Redundancy | 1.9 | |
| CC(1/2) | 0.998 | 0.751 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 291 | 0.5 M LiSO4, 15% W/V PEG8000 |
