7UC5
Crystal Structure of HLA A*0301 in complex with ILRGSVAHK, a 9-mer epitope from Influenza A
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 | 2020-08-15 |
| Detector | DECTRIS PILATUS 12M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 155.628, 155.628, 170.758 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.940 - 1.950 |
| R-factor | 0.198 |
| Rwork | 0.197 |
| R-free | 0.22900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rl1 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.040 |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.820 | 48.820 | 1.980 |
| High resolution limit [Å] | 1.950 | 10.500 | 1.950 |
| Rmerge | 0.225 | 0.050 | 2.317 |
| Rmeas | 0.230 | 0.052 | 2.369 |
| Rpim | 0.048 | 0.012 | 0.491 |
| Total number of observations | 2027076 | 12745 | 104909 |
| Number of reflections | 88833 | 689 | 4468 |
| <I/σ(I)> | 13.5 | 34.1 | 2.2 |
| Completeness [%] | 100.0 | 99.1 | 100 |
| Redundancy | 22.8 | 18.5 | 23.5 |
| CC(1/2) | 0.998 | 0.999 | 0.781 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 277 | 0.2 Ammonium Sulfate, 0.1 Bis-Tris propane pH 6.5, 22% PEG 3350 |
