3LJ3
PI3-kinase-gamma with a pyrrolopyridine-benzofuran inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Detector technology | CCD |
| Collection date | 2007-07-29 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 145.071, 68.509, 106.692 |
| Unit cell angles | 90.00, 94.64, 90.00 |
Refinement procedure
| Resolution | 62.174 - 2.430 |
| R-factor | 0.2238 |
| Rwork | 0.222 |
| R-free | 0.26090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e8y |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.665 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | PHENIX (dev_256) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 106.380 | 2.560 |
| High resolution limit [Å] | 2.430 | 2.430 |
| Rmerge | 0.062 | 0.318 |
| Number of reflections | 35350 | |
| <I/σ(I)> | 13.6 | 1.5 |
| Completeness [%] | 89.5 | 63.9 |
| Redundancy | 3.4 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.6 | 291 | 100 mM Tris pH 8.6, 125 mM Ammonium Sulfate, 20% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
