5EDS
Crystal structure of human PI3K-gamma in complex with benzimidazole inhibitor 5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-09-26 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9793 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 144.301, 68.234, 106.620 |
Unit cell angles | 90.00, 95.12, 90.00 |
Refinement procedure
Resolution | 40.000 - 2.800 |
R-factor | 0.2124 |
Rwork | 0.208 |
R-free | 0.27330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4wwp |
RMSD bond length | 0.007 |
RMSD bond angle | 1.067 |
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 | 2.900 |
High resolution limit [Å] | 2.800 | 6.030 | 2.800 |
Rmerge | 0.070 | 0.032 | 0.552 |
Total number of observations | 85045 | ||
Number of reflections | 25882 | ||
<I/σ(I)> | 12.9 | ||
Completeness [%] | 99.2 | 97.4 | 99.8 |
Redundancy | 3.3 | 3.2 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 298 | 20% PEG 3350, 0.1 M Tris (pH 7.3), 0.25 M ammonium sulfate, 2 mM DTT |