8TQA
Crystal structure of Fab.28.14.8 in complex with MHC-I (H2-Db)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 273 |
| Detector technology | PIXEL |
| Collection date | 2022-07-25 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 71.387, 70.185, 94.340 |
| Unit cell angles | 90.00, 98.00, 90.00 |
Refinement procedure
| Resolution | 60.570 - 2.600 |
| R-factor | 0.1848 |
| Rwork | 0.181 |
| R-free | 0.25320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wbx |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.075 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.570 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.067 | 0.479 |
| Rpim | 0.039 | 0.276 |
| Number of reflections | 28484 | 2837 |
| <I/σ(I)> | 13.1 | 2.6 |
| Completeness [%] | 98.8 | 97.7 |
| Redundancy | 3.8 | 3.9 |
| CC(1/2) | 0.997 | 0.855 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 16% PEG4000, 0.1 M HEPES, pH 7.5, 0.2 M magnesium chloride |
