7NA5
Structure of the H2DB-TCR ternary complex with HSF2 melanoma neoantigen
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2020-12-09 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9794 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 155.439, 191.710, 67.811 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.010 - 2.500 |
| R-factor | 0.1858 |
| Rwork | 0.184 |
| R-free | 0.24870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7n9j |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.432 |
| Data reduction software | HKL-3000 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.010 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.161 | |
| Number of reflections | 35345 | 3783 |
| <I/σ(I)> | 7.8 | 1.3 |
| Completeness [%] | 99.4 | 95.8 |
| Redundancy | 5.9 | 4.5 |
| CC(1/2) | 0.987 | 0.450 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 290 | 25% PEG3350, 0.1 M Bis-Tris, pH 5.5, 0.2 M lithium sulfate, 15% glycerol |
