9CX1
Crystal structure of HLA-A*03:01 L156Q mutant in complex with a mutant PIK3CA peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-06-15 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.03320 |
| Spacegroup name | P 6 2 2 |
| Unit cell lengths | 156.092, 156.092, 85.783 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.900 - 2.000 |
| R-factor | 0.1985 |
| Rwork | 0.196 |
| R-free | 0.22120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.611 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.21.1_5286) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.198 | 0.746 |
| Rmeas | 0.201 | 0.760 |
| Rpim | 0.143 | |
| Number of reflections | 42199 | 2053 |
| <I/σ(I)> | 23.14 | 5 |
| Completeness [%] | 100.0 | |
| Redundancy | 36.5 | |
| CC(1/2) | 0.936 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277.15 | 20% w/v polyethylene glycol 3,350, 200 mM sodium malonate |
