4DK5
Crystal structure of human PI3K-gamma in complex with a pyridyl-triazine inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-02-07 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 143.775, 68.233, 107.182 |
Unit cell angles | 90.00, 94.99, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.950 |
R-factor | 0.2239 |
Rwork | 0.219 |
R-free | 0.28910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1e8y |
RMSD bond length | 0.007 |
RMSD bond angle | 1.002 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | EPMR |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 3.060 |
High resolution limit [Å] | 2.950 | 6.350 | 2.950 |
Rmerge | 0.075 | 0.026 | 0.737 |
Number of reflections | 22145 | ||
<I/σ(I)> | 10.1 | ||
Completeness [%] | 99.8 | 98.9 | 99.6 |
Redundancy | 3.4 | 3.3 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 273 | 21% polyethylene glycol 3350, 100 mM Tris, 245 mM ammonium sulfate, 1 mM DTT, 2 mM EDTA, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 273K |