4DK5
Crystal structure of human PI3K-gamma in complex with a pyridyl-triazine inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-02-07 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 143.775, 68.233, 107.182 |
| Unit cell angles | 90.00, 94.99, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.950 |
| R-factor | 0.2239 |
| Rwork | 0.219 |
| R-free | 0.28910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e8y |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.002 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.060 |
| High resolution limit [Å] | 2.950 | 6.350 | 2.950 |
| Rmerge | 0.075 | 0.026 | 0.737 |
| Number of reflections | 22145 | ||
| <I/σ(I)> | 10.1 | ||
| Completeness [%] | 99.8 | 98.9 | 99.6 |
| Redundancy | 3.4 | 3.3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 273 | 21% polyethylene glycol 3350, 100 mM Tris, 245 mM ammonium sulfate, 1 mM DTT, 2 mM EDTA, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 273K |
