7KKE
Phosphoinositide 3-Kinase gamma bound to a thiazole 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 | 2009-08-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 141.456, 67.050, 107.398 |
| Unit cell angles | 90.00, 97.05, 90.00 |
Refinement procedure
| Resolution | 62.240 - 2.810 |
| R-factor | 0.1967 |
| Rwork | 0.194 |
| R-free | 0.26370 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6c1s |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.010 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | BUSTER |
| Refinement software | BUSTER |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 62.240 | 62.237 | 2.990 |
| High resolution limit [Å] | 2.810 | 8.086 | 2.810 |
| Rmerge | 0.070 | 0.020 | 1.154 |
| Rmeas | 0.083 | 0.023 | 1.348 |
| Rpim | 0.044 | 0.012 | 0.692 |
| Total number of observations | 3277 | 3688 | |
| Number of reflections | 19864 | 993 | 993 |
| <I/σ(I)> | 13.1 | 42.4 | 1.1 |
| Completeness [%] | 87.3 | 90.3 | 42.7 |
| Redundancy | 3.3 | 3.3 | 3.7 |
| CC(1/2) | 0.999 | 0.999 | 0.547 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 298 | 25% PEG3350, 200MM LITHIUM SULFATE, 10 REMARK 280 MM DTT, 10 MM EDTA, 100 MM TRIS, PH 8.5, VAPOR DIFFUSION, REMARK 280 HANGING DROP, TEMPERATURE 298K |
