7N4K
6218 TCR in complex with H2-Db PA 224
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 277 |
| Detector technology | PIXEL |
| Collection date | 2020-08-05 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.140, 72.530, 107.720 |
| Unit cell angles | 90.00, 101.36, 90.00 |
Refinement procedure
| Resolution | 44.070 - 1.850 |
| R-factor | 0.187 |
| Rwork | 0.186 |
| R-free | 0.21400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pqy |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.090 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 44.070 | 44.070 | 1.890 |
| High resolution limit [Å] | 1.850 | 9.060 | 1.850 |
| Rmerge | 0.090 | 0.039 | 0.669 |
| Rmeas | 0.107 | 0.047 | 0.788 |
| Rpim | 0.056 | 0.026 | 0.413 |
| Total number of observations | 247148 | 2096 | 15491 |
| Number of reflections | 69886 | 627 | 4284 |
| <I/σ(I)> | 8.7 | 24.6 | 1.9 |
| Completeness [%] | 100.0 | 99.3 | 100 |
| Redundancy | 3.5 | 3.3 | 3.6 |
| CC(1/2) | 0.994 | 0.959 | 0.667 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 20% PEG3350, 0.2 M NaF, 0.05 M NaForm, 1% 1,5-Diaminopentane dihydrochloride |
