9GV6
Structure of TCR in complex with peptide-HLA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-05-14 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.120, 93.530, 388.950 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 90.940 - 2.770 |
| R-factor | 0.21976 |
| Rwork | 0.217 |
| R-free | 0.27357 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.767 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 90.940 | 2.820 |
| High resolution limit [Å] | 2.770 | 2.770 |
| Rmerge | 0.212 | 3.438 |
| Rmeas | 0.220 | 3.642 |
| Rpim | 0.057 | 1.158 |
| Number of reflections | 69770 | 3197 |
| <I/σ(I)> | 8.1 | 0.3 |
| Completeness [%] | 99.6 | 94.03 |
| Redundancy | 14.4 | 9.2 |
| CC(1/2) | 0.998 | 0.366 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M Sodium citrate tribasic dihydrate, 0.1 M Bis-Tris propane pH 7.5, and 20 % w/v PEG 3350 |
