4F1S
Crystal structure of human PI3K-gamma in complex with a pyridyl-triazine-sulfonamide 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] | 93 |
| Detector technology | CCD |
| Collection date | 2010-01-15 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 146.701, 69.079, 107.623 |
| Unit cell angles | 90.00, 94.87, 90.00 |
Refinement procedure
| Resolution | 41.580 - 3.000 |
| R-factor | 0.1964 |
| Rwork | 0.192 |
| R-free | 0.26490 |
| Structure solution method | difference Fourier |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.006 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.110 |
| High resolution limit [Å] | 3.000 | 6.460 | 3.000 |
| Rmerge | 0.085 | 0.036 | 0.450 |
| Number of reflections | 21187 | ||
| <I/σ(I)> | 11.22 | 27.2 | 2.3 |
| Completeness [%] | 97.5 | 100 | 82 |
| Redundancy | 3.6 | 3.7 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 293 | 20% PEG 3350, 100 mM Tris, 250 mM ammonium sulfate, 2 mM dithiothreitol, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
