7Z50
Structure of the highly diabetogenic 4.1-T cell receptor targeting a hybrid insulin peptide bound to I-Ag7.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-05-09 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97926 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 213.615, 133.457, 102.560 |
| Unit cell angles | 90.00, 103.69, 90.00 |
Refinement procedure
| Resolution | 49.820 - 2.650 |
| R-factor | 0.2232 |
| Rwork | 0.221 |
| R-free | 0.26110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7qhp |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.493 |
| Data reduction software | XDS (BUILT=20210205) |
| Data scaling software | Aimless (1.12.8) |
| Phasing software | MOLREP (11.7.03) |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.820 | 2.700 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.129 | 1.254 |
| Rmeas | 0.169 | |
| Rpim | 0.107 | |
| Number of reflections | 81036 | 4458 |
| <I/σ(I)> | 8.1 | 1 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 4.3 | 3.9 |
| CC(1/2) | 0.993 | 0.371 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.1 M MgCl2, 0.1 M Na HEPES pH 7.0, 15% w/v PEG 4000 |
