5SXI
Crystal Structure of PI3Kalpha in complex with fragment 13
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-02-10 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.9788 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 114.155, 116.766, 150.546 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 92.270 - 3.400 |
| R-factor | 0.2053 |
| Rwork | 0.201 |
| R-free | 0.27880 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4ovu |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.502 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 92.270 | 50.000 | 3.520 |
| High resolution limit [Å] | 3.400 | 7.320 | 3.400 |
| Rmerge | 0.133 | 0.042 | 0.907 |
| Number of reflections | 28264 | ||
| <I/σ(I)> | 7.9 | ||
| Completeness [%] | 98.6 | 96.7 | 96.8 |
| Redundancy | 5.1 | 5.6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | NaFormate |
