9CWZ
Crystal structure of HLA-A*03:02 in complex with a mutant PIK3CA peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-02-23 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 6 2 2 |
| Unit cell lengths | 156.025, 156.025, 85.584 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.040 - 2.050 |
| R-factor | 0.2108 |
| Rwork | 0.208 |
| R-free | 0.23830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.576 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.20rc3_4406: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.090 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.145 | 1.766 |
| Rmeas | 0.147 | 1.793 |
| Rpim | 0.024 | 0.309 |
| Number of reflections | 39117 | 1908 |
| <I/σ(I)> | 45.94 | 4.43 |
| Completeness [%] | 100.0 | |
| Redundancy | 37.4 | |
| CC(1/2) | 1.000 | 0.959 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 277.15 | 20% w/v polyethylene glycol 3,350, 200 mM lithium nitrate |
