5FI4
Discovery of imidazo[1,2-a]-pyridine inhibitors of pan-PI3 kinases that are efficacious in a mouse xenograft model
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-07-14 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 105.200, 105.320, 134.390 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.560 - 2.500 |
| R-factor | 0.1964 |
| Rwork | 0.194 |
| R-free | 0.24520 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.110 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.560 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.061 | 0.277 |
| Number of reflections | 52363 | |
| <I/σ(I)> | 17.3 | 4.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.2 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 303.15 | 12.5% PEG 3350, 125 mM KSCN Drops were 5uL protein: 3uL well solutions and streak seeded. |
