6C1S
Phosphoinositide 3-Kinase gamma bound to an pyrrolopyridinone Inhibitor
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] | 110 |
Detector technology | CCD |
Collection date | 2009-11-11 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 144.760, 67.550, 107.530 |
Unit cell angles | 90.00, 95.53, 90.00 |
Refinement procedure
Resolution | 41.120 - 2.310 |
R-factor | 0.199 |
Rwork | 0.197 |
R-free | 0.25700 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4wwo |
RMSD bond length | 0.010 |
RMSD bond angle | 1.190 |
Data reduction software | XDS |
Data scaling software | autoPROC |
Phasing software | BUSTER |
Refinement software | BUSTER |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 62.630 | 1.580 |
High resolution limit [Å] | 1.490 | 1.490 |
Rmerge | 0.096 | |
Rmeas | 0.116 | |
Rpim | 0.064 | |
Total number of observations | 243828 | |
Number of reflections | 90461 | 1683 |
<I/σ(I)> | 4.1 | |
Completeness [%] | 54.2 | 7 |
Redundancy | 2.7 | 1.6 |
CC(1/2) | 0.998 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 25% PEG3350, 200MM Lithium Sulfate, 10 MM DTT, 10 MM EDTA, 100 MM Tris |