9WE2
Crystal structure of HLA-A*11:01 bound to A0PXA8-V2 peptide(IVGAVGIAK)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-09-15 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 80.753, 67.127, 91.695 |
| Unit cell angles | 90.00, 113.03, 90.00 |
Refinement procedure
| Resolution | 45.030 - 2.190 |
| R-factor | 0.1831 |
| Rwork | 0.181 |
| R-free | 0.21960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.937 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (v1.21-5207) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 71.300 | 2.300 |
| High resolution limit [Å] | 2.190 | 2.190 |
| Rmerge | 0.107 | 0.470 |
| Rmeas | 0.120 | 0.604 |
| Rpim | 0.052 | 0.372 |
| Number of reflections | 43176 | 4306 |
| <I/σ(I)> | 10.2 | 2.4 |
| Completeness [%] | 92.3 | 64.4 |
| Redundancy | 4.8 | 2.3 |
| CC(1/2) | 0.970 | 0.477 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 0.1 M BIS-TRIS pH 6.5, 20% w/v PEGMME 5000 |
