4ANU
Complexes of PI3Kgamma with isoform selective inhibitors.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 155 |
Detector technology | CCD |
Collection date | 2009-10-08 |
Detector | MARRESEARCH SX-165 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 145.252, 68.529, 106.856 |
Unit cell angles | 90.00, 95.29, 90.00 |
Refinement procedure
Resolution | 28.700 - 2.810 |
R-factor | 0.25807 |
Rwork | 0.254 |
R-free | 0.33815 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | IN-HOUSE PI3KG STRUCTURE |
RMSD bond length | 0.013 |
RMSD bond angle | 1.556 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.700 | 3.050 |
High resolution limit [Å] | 2.810 | 2.810 |
Rmerge | 0.110 | 1.010 |
Number of reflections | 24447 | |
<I/σ(I)> | 9.5 | 1.6 |
Completeness [%] | 94.9 | 98.1 |
Redundancy | 3.8 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.2 | pH 7.2 |