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 |