9NII
Crystal structure of citrullinated Tenascin-C restricted PB TCR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-10-11 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.95373 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 109.260, 119.798, 176.303 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.840 - 2.750 |
| R-factor | 0.2342 |
| Rwork | 0.233 |
| R-free | 0.26440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.475 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.840 | 2.820 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.128 | 1.164 |
| Number of reflections | 60739 | 4424 |
| <I/σ(I)> | 8.3 | |
| Completeness [%] | 99.9 | |
| Redundancy | 6.1 | |
| CC(1/2) | 0.996 | 0.704 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M Sodium Acetate pH 7.8, 8% PEG 4000 |
