4ANV
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 | 2007-12-03 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 144.337, 68.729, 106.773 |
| Unit cell angles | 90.00, 94.91, 90.00 |
Refinement procedure
| Resolution | 106.600 - 2.130 |
| R-factor | 0.24312 |
| Rwork | 0.240 |
| R-free | 0.29737 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | IN-HOUSE PI3KG STRUCTURE |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.990 |
| 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] | 39.680 | 2.640 |
| High resolution limit [Å] | 2.130 | 2.130 |
| Rmerge | 0.090 | 0.990 |
| Number of reflections | 56134 | |
| <I/σ(I)> | 11.2 | 1.62 |
| Completeness [%] | 99.1 | 98.7 |
| Redundancy | 3.79 | 3.75 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.2 | pH 7.2 |
