6XRL
Crystal structure of human PI3K-gamma in complex with inhibitor IPI-549
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-28 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.99997 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 146.368, 68.370, 107.433 |
Unit cell angles | 90.00, 94.52, 90.00 |
Refinement procedure
Resolution | 44.930 - 2.990 |
R-factor | 0.2038 |
Rwork | 0.202 |
R-free | 0.26940 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | none |
RMSD bond length | 0.012 |
RMSD bond angle | 1.712 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 44.930 | 44.930 | 3.240 |
High resolution limit [Å] | 2.990 | 20.140 | 2.990 |
Rmerge | 0.046 | 0.017 | 0.435 |
Rmeas | 0.057 | 0.021 | 0.531 |
Total number of observations | 61623 | ||
Number of reflections | 21106 | 67 | 4503 |
<I/σ(I)> | 18.6 | 55.82 | 2.98 |
Completeness [%] | 97.2 | 81.7 | 97.9 |
Redundancy | 2.92 | 2.672 | 2.964 |
CC(1/2) | 0.999 | 0.999 | 0.825 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 277 | PEG 4000, (NH4)2SO4, Na Form, Tris |