4FJZ
Crystal structure of PI3K-gamma in complex with pyrrolo-pyridine inhibitor 63
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-11-06 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9774 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 144.313, 67.899, 106.306 |
Unit cell angles | 90.00, 95.26, 90.00 |
Refinement procedure
Resolution | 30.000 - 3.000 |
R-factor | 0.2077 |
Rwork | 0.203 |
R-free | 0.28010 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.008 |
RMSD bond angle | 1.125 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | REFMAC |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 3.110 |
High resolution limit [Å] | 3.000 | 6.440 | 3.000 |
Rmerge | 0.075 | 0.054 | 0.397 |
Number of reflections | 20268 | ||
<I/σ(I)> | 13 | ||
Completeness [%] | 97.6 | 100 | 80 |
Redundancy | 3.5 | 3.7 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 293 | 21% PEG 3350, 250 mM ammonium sulfate, 2 mM DTT, 100 mM Tris, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K |