9GV7
Structure of reverse docking TCR in complex with peptide-HLA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-09-25 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.91587 |
| Spacegroup name | P 65 |
| Unit cell lengths | 144.130, 144.130, 106.790 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 124.820 - 1.860 |
| R-factor | 0.18184 |
| Rwork | 0.180 |
| R-free | 0.21202 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.809 |
| Data reduction software | xia2.multiplex |
| Data scaling software | xia2.multiplex |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 124.820 | 1.890 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Rmerge | 0.093 | 2.135 |
| Rmeas | 0.095 | 2.194 |
| Rpim | 0.016 | 0.502 |
| Number of reflections | 105638 | 5255 |
| <I/σ(I)> | 24.2 | 1.12 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 31.52 | 19.03 |
| CC(1/2) | 1.000 | 0.556 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M MMT pH 9, 25% PEG 1500 |
