8RVD
Unbound murine diabetogenic 4.1 TCR
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 | 2023-11-25 |
| Detector | DECTRIS PILATUS3 X 6M |
| Wavelength(s) | 0.979260 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 129.986, 151.131, 135.550 |
| Unit cell angles | 90.00, 92.80, 90.00 |
Refinement procedure
| Resolution | 135.390 - 3.000 |
| R-factor | 0.21889 |
| Rwork | 0.216 |
| R-free | 0.26619 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.818 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 151.130 | 3.200 |
| High resolution limit [Å] | 3.000 | 3.150 |
| Rmerge | 0.180 | 1.385 |
| Rmeas | 0.213 | 1.639 |
| Rpim | 0.114 | 0.870 |
| Total number of observations | 15523 | |
| Number of reflections | 90351 | 4447 |
| <I/σ(I)> | 6.2 | 1 |
| Completeness [%] | 99.8 | |
| Redundancy | 3.5 | 3.5 |
| CC(1/2) | 0.993 | 0.446 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295 | 0.1 M sodium phosphate (NaH2PO4) pH 6.5, 14% w/v PEG 8000 |
