4WWN
Crystal structure of human PI3K-gamma in complex with (S)-N-(1-(7-fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine AMG319 inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-05-19 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 143.873, 68.213, 106.690 |
| Unit cell angles | 90.00, 94.81, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.700 |
| R-factor | 0.2213 |
| Rwork | 0.216 |
| R-free | 0.29070 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.139 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 5.800 | 2.700 |
| Rmerge | 0.076 | 0.050 | 0.399 |
| Total number of observations | 64610 | ||
| Number of reflections | 27232 | ||
| <I/σ(I)> | 16 | ||
| Completeness [%] | 95.3 | 89.4 | 96.4 |
| Redundancy | 2.4 | 2.4 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 298 | 21% PEG 3350, 100 mM Tris (pH 7.3), 245 mM ammonium sulfate, 1 mM dithiothreitol, 1 mM EDTA |
