7S8R
Crystal Structure of HLA A*1101 in complex with SALEWIKNK, an 9-mer epitope from Influenza B
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-10-17 |
| Detector | DECTRIS PILATUS 12M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 71.330, 120.410, 122.330 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.430 - 2.950 |
| R-factor | 0.228 |
| Rwork | 0.226 |
| R-free | 0.27800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4mj5 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.950 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.430 | 3.130 |
| High resolution limit [Å] | 2.950 | 2.950 |
| Rmerge | 0.114 | 0.583 |
| Total number of observations | 76936 | |
| Number of reflections | 21329 | 3472 |
| <I/σ(I)> | 10.1 | |
| Completeness [%] | 93.8 | 96.1 |
| Redundancy | 3.6 | 3.7 |
| CC(1/2) | 0.993 | 0.791 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 2M Ammonium Sulfate, 0.1 Tris pH 8, 0.2 Lithium Sulfate, 2% PEG 400 |
