6C1S
Phosphoinositide 3-Kinase gamma bound to an pyrrolopyridinone Inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2009-11-11 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 144.760, 67.550, 107.530 |
| Unit cell angles | 90.00, 95.53, 90.00 |
Refinement procedure
| Resolution | 41.120 - 2.310 |
| R-factor | 0.199 |
| Rwork | 0.197 |
| R-free | 0.25700 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4wwo |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.190 |
| Data reduction software | XDS |
| Data scaling software | autoPROC |
| Phasing software | BUSTER |
| Refinement software | BUSTER |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.630 | 1.580 |
| High resolution limit [Å] | 1.490 | 1.490 |
| Rmerge | 0.096 | |
| Rmeas | 0.116 | |
| Rpim | 0.064 | |
| Total number of observations | 243828 | |
| Number of reflections | 90461 | 1683 |
| <I/σ(I)> | 4.1 | |
| Completeness [%] | 54.2 | 7 |
| Redundancy | 2.7 | 1.6 |
| CC(1/2) | 0.998 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 25% PEG3350, 200MM Lithium Sulfate, 10 MM DTT, 10 MM EDTA, 100 MM Tris |
