7N6E
TCR peptide HLA-A2 complex
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 | 2021-04-10 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.95365 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.832, 95.131, 168.755 |
| Unit cell angles | 90.00, 100.18, 90.00 |
Refinement procedure
| Resolution | 47.850 - 3.200 |
| R-factor | 0.2424 |
| Rwork | 0.239 |
| R-free | 0.29410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB entries 6VRM & 3GSO |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.480 |
| 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] | 47.850 | 3.370 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.183 | 0.629 |
| Rmeas | 0.259 | 0.889 |
| Rpim | 0.168 | 0.628 |
| Number of reflections | 31387 | 3149 |
| <I/σ(I)> | 4.16 | 1.4 |
| Completeness [%] | 95.4 | 96.17 |
| Redundancy | 2.5 | 2.3 |
| CC(1/2) | 0.842 | 0.381 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293.15 | 20% PEG3350, 0.2 M sodium thiocyanate, 100 mM Tris-Cl |
