4ANU
Complexes of PI3Kgamma with isoform selective inhibitors.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 155 |
| Detector technology | CCD |
| Collection date | 2009-10-08 |
| Detector | MARRESEARCH SX-165 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 145.252, 68.529, 106.856 |
| Unit cell angles | 90.00, 95.29, 90.00 |
Refinement procedure
| Resolution | 28.700 - 2.810 |
| R-factor | 0.25807 |
| Rwork | 0.254 |
| R-free | 0.33815 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | IN-HOUSE PI3KG STRUCTURE |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.556 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.700 | 3.050 |
| High resolution limit [Å] | 2.810 | 2.810 |
| Rmerge | 0.110 | 1.010 |
| Number of reflections | 24447 | |
| <I/σ(I)> | 9.5 | 1.6 |
| Completeness [%] | 94.9 | 98.1 |
| Redundancy | 3.8 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.2 | pH 7.2 |
