9NMU
TCR156 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 | 225.107, 47.349, 90.730 |
| Unit cell angles | 90.00, 95.83, 90.00 |
Refinement procedure
| Resolution | 46.320 - 2.100 |
| R-factor | 0.1943 |
| Rwork | 0.193 |
| R-free | 0.22650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.614 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.320 | 2.160 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.099 | 0.988 |
| Rmeas | 0.120 | 1.176 |
| Rpim | 0.066 | 0.630 |
| Number of reflections | 55350 | 4641 |
| <I/σ(I)> | 7.03 | 1.01 |
| Completeness [%] | 98.4 | 99.38 |
| Redundancy | 3.2 | 3.3 |
| CC(1/2) | 0.994 | 0.583 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 295 | 0.2 M Sodium malonate, 0.1 M bis Tris-propane pH 7.5, 17% PEG 3500 |
