4FJZ
Crystal structure of PI3K-gamma in complex with pyrrolo-pyridine inhibitor 63
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-11-06 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9774 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 144.313, 67.899, 106.306 |
| Unit cell angles | 90.00, 95.26, 90.00 |
Refinement procedure
| Resolution | 30.000 - 3.000 |
| R-factor | 0.2077 |
| Rwork | 0.203 |
| R-free | 0.28010 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.125 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 3.110 |
| High resolution limit [Å] | 3.000 | 6.440 | 3.000 |
| Rmerge | 0.075 | 0.054 | 0.397 |
| Number of reflections | 20268 | ||
| <I/σ(I)> | 13 | ||
| Completeness [%] | 97.6 | 100 | 80 |
| Redundancy | 3.5 | 3.7 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 293 | 21% PEG 3350, 250 mM ammonium sulfate, 2 mM DTT, 100 mM Tris, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
