9NMV
TCR156 S32Halpha bound to HLA A*02:01-PAP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 2.0.1 |
| Synchrotron site | ALS |
| Beamline | 2.0.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-06-28 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.031 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 228.072, 47.317, 92.407 |
| Unit cell angles | 90.00, 95.36, 90.00 |
Refinement procedure
| Resolution | 46.000 - 1.970 |
| R-factor | 0.1809 |
| Rwork | 0.180 |
| R-free | 0.21740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.784 |
| 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] | 46.000 | 2.010 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Rmerge | 0.082 | 1.690 |
| Rmeas | 0.091 | 1.970 |
| Rpim | 0.039 | 0.992 |
| Number of reflections | 68724 | 3467 |
| <I/σ(I)> | 8.97 | 0.54 |
| Completeness [%] | 98.0 | 85.14 |
| Redundancy | 5.3 | |
| CC(1/2) | 0.998 | 0.373 |
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, 20% PEG3500 |
