8TBB
F9S, novel TIM-3 targeting antibody, bound to IgV domain of TIM-3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL14-1 |
| Synchrotron site | SSRL |
| Beamline | BL14-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-03-25 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 72.805, 57.005, 80.453 |
| Unit cell angles | 90.00, 106.00, 90.00 |
Refinement procedure
| Resolution | 35.000 - 2.500 |
| Rwork | 0.191 |
| R-free | 0.24120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.001 |
| RMSD bond angle | 0.375 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0415) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 2.800 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Number of reflections | 23828 | 1422 |
| <I/σ(I)> | 11.2 | |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 3.9 | 3.3 |
| CC(1/2) | 0.970 | 0.880 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | Crystals for the TIM-3-F9S Fab complex were obtained in a condition made up of a combination of 0.1M BICINE, pH 9.0 and 20% w/v PEG 6000 |
