7L1C
Crystal structure of HLA-A*03:01 in complex with a mutant PIK3CA peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-04-02 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1 |
| Spacegroup name | P 6 2 2 |
| Unit cell lengths | 155.720, 155.720, 85.660 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.950 - 1.960 |
| R-factor | 0.1707 |
| Rwork | 0.169 |
| R-free | 0.20510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xpg |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.189 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.990 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.123 | 0.918 |
| Rmeas | 0.127 | 0.960 |
| Rpim | 0.029 | 0.267 |
| Number of reflections | 44346 | 2187 |
| <I/σ(I)> | 29.3 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 17.6 | 10.9 |
| CC(1/2) | 0.800 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.6 | 277.15 | 20% w/v Polyethylene glycol 3,350, 200 mM Ammonium formate, pH 6.6 |
