3S2A
Crystal structure of PI3K-gamma in complex with a quinoline inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-03-27 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 144.465, 68.169, 107.347 |
| Unit cell angles | 90.00, 94.80, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.550 |
| R-factor | 0.237 |
| Rwork | 0.234 |
| R-free | 0.30080 |
| Structure solution method | DIFFERENCE FOURIER |
| Starting model (for MR) | 3qk0 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.034 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 2.640 |
| High resolution limit [Å] | 2.550 | 5.480 | 2.550 |
| Rmerge | 0.037 | 0.019 | 0.351 |
| Number of reflections | 31971 | ||
| <I/σ(I)> | 27.4 | 2.03 | |
| Completeness [%] | 93.5 | 98.5 | 57.4 |
| Redundancy | 3.4 | 3.6 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 293 | 22% w/v PEG3350, 245 mM ammonium sulfate, 100 mM Tris, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
