8VFU
The Fab Crystal Structure of the PAN IL-1 Family Inhibitor Antibody 3G5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-1 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-12-05 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9201 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.016, 61.269, 119.324 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.670 - 2.450 |
| R-factor | 0.215 |
| Rwork | 0.213 |
| R-free | 0.25560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.126 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (v8.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.670 | 2.550 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.161 | 0.606 |
| Rmeas | 0.185 | 0.692 |
| Rpim | 0.089 | 0.331 |
| Number of reflections | 17065 | 1887 |
| <I/σ(I)> | 8.7 | 3.1 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.8 | 8 |
| CC(1/2) | 0.993 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIQUID DIFFUSION | 293 | 0.2M Trimethylamine N-oxide dihydrate, 0.1M Tris pH 8.5, and 20% w/v PEG |
