7QPJ
Crystal structure of engineered TCR (756) complexed to HLA-A*02:01 presenting MAGE-A10 9-mer peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-05-16 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.197, 77.446, 116.682 |
| Unit cell angles | 90.00, 102.70, 90.00 |
Refinement procedure
| Resolution | 64.113 - 1.540 |
| Rwork | 0.202 |
| R-free | 0.23640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7pbc |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.631 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 77.450 | 77.450 | 1.570 |
| High resolution limit [Å] | 1.540 | 8.430 | 1.540 |
| Rmerge | 0.075 | 0.041 | 0.984 |
| Rmeas | 0.105 | 0.057 | 1.381 |
| Rpim | 0.073 | 0.040 | 0.967 |
| Number of reflections | 134415 | 6531 | 897 |
| <I/σ(I)> | 6.4 | 15.4 | 1 |
| Completeness [%] | 96.9 | 99.4 | 95.8 |
| Redundancy | 3.2 | 3 | 3.1 |
| CC(1/2) | 0.995 | 0.993 | 0.331 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293.15 | 0.2M Sodium chloride, 0.1M MES pH 6.0, 20% w/v PEG 6000 |
