9NMX
TCR156 S32Malpha variant bound to HLA A*02:01-PAP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-04-10 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 225.956, 46.307, 91.793 |
| Unit cell angles | 90.00, 95.13, 90.00 |
Refinement procedure
| Resolution | 46.110 - 2.190 |
| R-factor | 0.1947 |
| Rwork | 0.193 |
| R-free | 0.22910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.559 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.1_5286) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.110 | 2.240 |
| High resolution limit [Å] | 2.190 | 2.190 |
| Rmerge | 0.092 | 1.490 |
| Rmeas | 0.109 | 1.758 |
| Rpim | 0.058 | 0.929 |
| Number of reflections | 48631 | 3455 |
| <I/σ(I)> | 9.32 | 0.76 |
| Completeness [%] | 98.5 | 99.45 |
| Redundancy | 3.4 | 3.5 |
| CC(1/2) | 0.997 | 0.362 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 295 | 0.2 M Sodium malonate, 0.1 M bis Tris-propane pH 7.5, 17% PEG 3500 |
