9IA3
Bc8.108 Fab bound to preS2 peptide
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 | 2023-04-02 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.98011 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 82.198, 65.131, 100.635 |
| Unit cell angles | 90.00, 106.85, 90.00 |
Refinement procedure
| Resolution | 96.320 - 1.110 |
| R-factor | 0.1733 |
| Rwork | 0.173 |
| R-free | 0.18660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.939 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 96.320 | 1.168 |
| High resolution limit [Å] | 1.107 | 1.107 |
| Rmerge | 0.064 | 0.578 |
| Rmeas | 0.070 | 0.691 |
| Rpim | 0.039 | 0.367 |
| Number of reflections | 174172 | 8709 |
| <I/σ(I)> | 12.1 | 1.6 |
| Completeness [%] | 92.7 | 47.1 |
| Redundancy | 5.5 | 3.3 |
| CC(1/2) | 0.996 | 0.677 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 292 | 20% (w/v) PEG 8K, 200 mM calcium acetate, 100 mM imidazole-HCl pH 8 |
