8K4V
Crystal structure of HLA-A*11:01 in complex with KRAS G12R peptide (VVVGARGVGK)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NFPSS BEAMLINE BL19U1 |
| Synchrotron site | NFPSS |
| Beamline | BL19U1 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2022-11-18 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.978520 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 118.648, 121.602, 155.814 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.390 - 3.095 |
| R-factor | 0.2981 |
| Rwork | 0.296 |
| R-free | 0.34740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.571 |
| Data scaling software | XDS |
| Phasing software | PHENIX (1.17.1_3660) |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.205 |
| High resolution limit [Å] | 3.095 | 3.095 |
| Number of reflections | 41628 | 52883 |
| <I/σ(I)> | 5.51 | |
| Completeness [%] | 99.1 | |
| Redundancy | 13 | |
| CC(1/2) | 0.981 | 0.716 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293.15 | Ammonium sulfate, Sodium cacodylate, PEG 4000 |
