7P3E
MHC I A02 Allele presenting YLQLRTFLL
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 32 1 2 |
| Unit cell lengths | 85.802, 85.802, 217.564 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 74.310 - 2.000 |
| R-factor | 0.2158 |
| Rwork | 0.214 |
| R-free | 0.24790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4i4w |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.464 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 74.310 | 74.310 | 2.050 |
| High resolution limit [Å] | 2.000 | 8.930 | 2.000 |
| Rmerge | 0.086 | 0.034 | 1.094 |
| Rmeas | 0.090 | 0.036 | 1.145 |
| Rpim | 0.027 | 0.011 | 0.334 |
| Total number of observations | 720769 | 8972 | 52255 |
| Number of reflections | 62446 | 787 | 4415 |
| <I/σ(I)> | 15.1 | 46.1 | 2.3 |
| Completeness [%] | 99.7 | 100 | 96.3 |
| Redundancy | 11.5 | 11.4 | 11.8 |
| CC(1/2) | 0.998 | 0.998 | 0.779 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.2 M sodium iodide, 0.1 M Bis Tris propane pH 7.5, and 20 % w/v PEG 3350 |
