8TSB
Human PI3K p85alpha/p110alpha bound to compound 2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-05-30 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 87.871, 119.947, 189.317 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.540 - 3.530 |
| R-factor | 0.2182 |
| Rwork | 0.216 |
| R-free | 0.25550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.501 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 101.320 | 3.730 |
| High resolution limit [Å] | 3.530 | 3.530 |
| Rmerge | 0.082 | |
| Rmeas | 0.089 | |
| Rpim | 0.046 | |
| Number of reflections | 24449 | 2827 |
| <I/σ(I)> | 12.8 | |
| Completeness [%] | 96.8 | 78.6 |
| Redundancy | 6.6 | 6.8 |
| CC(1/2) | 0.998 | 0.893 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1 M Hepes pH 7.5, 9% PEG-3350 |
