3SD5
Crystal Structure of PI3K gamma with 5-(2,4-dimorpholinopyrimidin-6-yl)-4-(trifluoromethyl)pyridin-2-amine
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] | 100 |
| Detector technology | CCD |
| Collection date | 2006-07-06 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9794 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 144.264, 67.848, 106.633 |
| Unit cell angles | 90.00, 96.09, 90.00 |
Refinement procedure
| Resolution | 54.167 - 3.200 |
| R-factor | 0.2151 |
| Rwork | 0.213 |
| R-free | 0.26140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3p2b |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.596 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 106.000 | 3.370 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.100 | 0.319 |
| Number of reflections | 54055 | |
| <I/σ(I)> | 5.2 | |
| Completeness [%] | 99.1 | 99.5 |
| Redundancy | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.2M Sodium Acetate, 0.1M Sodium Citrate, 0.1M TRIS pH8.5, 16-19% (w/v)PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
