7P3D
MHC I A02 Allele presenting YLQPRTFLL
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-06-28 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.91808 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.629, 79.416, 57.892 |
| Unit cell angles | 90.00, 116.44, 90.00 |
Refinement procedure
| Resolution | 51.890 - 1.670 |
| R-factor | 0.1908 |
| Rwork | 0.189 |
| R-free | 0.23060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4i4w |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.586 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.390 | 1.700 |
| High resolution limit [Å] | 1.670 | 1.670 |
| Rmerge | 0.162 | 1.419 |
| Rmeas | 0.188 | 1.656 |
| Rpim | 0.095 | 0.839 |
| Number of reflections | 53176 | 2648 |
| <I/σ(I)> | 9.5 | 0.9 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.9 | 3.9 |
| CC(1/2) | 0.990 | 0.364 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M sodium nitrate, 0.1 M Bis Tris propane pH 7.5, and 20 % w/v PEG 3350 |
