5KAE
Crystal structure of human PI3K-gamma in complex with quinoline-containing inhibitor 5g
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 | 2010-01-15 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 143.578, 67.661, 106.197 |
Unit cell angles | 90.00, 95.05, 90.00 |
Refinement procedure
Resolution | 45.000 - 2.650 |
R-factor | 0.2039 |
Rwork | 0.201 |
R-free | 0.25190 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4wwn |
RMSD bond length | 0.008 |
RMSD bond angle | 1.182 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.740 |
High resolution limit [Å] | 2.650 | 5.710 | 2.650 |
Rmerge | 0.053 | 0.033 | 0.421 |
Number of reflections | 28948 | ||
<I/σ(I)> | 13.2 | 2.5 | |
Completeness [%] | 97.3 | 99.9 | 80 |
Redundancy | 3.6 | 3.7 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.3 | 298 | 20% PEG 3350, 250 mM ammonium sulfate, 100 mM Tris (pH 7.3), 2 mM dithiothreitol |