7PG5
Crystal Structure of PI3Kalpha
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-12-12 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 105.425, 105.244, 136.086 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 57.170 - 2.200 |
| R-factor | 0.198998535605 |
| Rwork | 0.196 |
| R-free | 0.24561 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jps |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.145 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 136.090 | 2.250 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmeas | 0.080 | |
| Number of reflections | 77356 | 4522 |
| <I/σ(I)> | 14 | |
| Completeness [%] | 100.0 | 99.6 |
| Redundancy | 7.8 | 5.3 |
| CC(1/2) | 0.999 | 0.398 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 10% PEG 5K MME (w/v), 160 nM KSCN, 100 mM sodium cacodylate pH 6.5. |
