5JHB
Structure of Phosphoinositide 3-kinase gamma (PI3K) bound to the potent inhibitor PIKin3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-10-02 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9793 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 142.530, 67.600, 106.550 |
| Unit cell angles | 90.00, 96.23, 90.00 |
Refinement procedure
| Resolution | 62.080 - 2.480 |
| R-factor | 0.2332 |
| Rwork | 0.231 |
| R-free | 0.27710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3sd5 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.578 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.1.29) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 62.080 | 62.080 | 2.540 |
| High resolution limit [Å] | 2.480 | 11.090 | 2.480 |
| Rmerge | 0.036 | 0.025 | 0.553 |
| Rmeas | 0.043 | ||
| Rpim | 0.024 | ||
| Total number of observations | 113523 | ||
| Number of reflections | 35274 | ||
| <I/σ(I)> | 17.5 | ||
| Completeness [%] | 98.1 | 94.9 | 99.5 |
| Redundancy | 3.2 | 2.9 | 3.3 |
| CC(1/2) | 0.998 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 17% PEG 4000, 250 mM (NH4)2SO4 and 100mM Tris pH-7.5 |
