3QAQ
Crystal structure of PI3K-gamma in complex with triazine-benzimidazole 1
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] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-27 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 145.395, 68.579, 106.501 |
| Unit cell angles | 90.00, 94.69, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.900 |
| R-factor | 0.2205 |
| Rwork | 0.217 |
| R-free | 0.26540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e8y |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.032 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 3.000 |
| High resolution limit [Å] | 2.900 | 6.230 | 2.900 |
| Rmerge | 0.090 | 0.068 | 0.383 |
| Number of reflections | 23346 | ||
| <I/σ(I)> | 20 | 2.2 | |
| Completeness [%] | 99.7 | 99.9 | 97 |
| Redundancy | 3.7 | 3.6 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.3 | 298 | 21% PEG 3350, 0.1 M Tris pH 7.3, 245 mM ammonium sulfate, 5 mM EDTA, VAPOR DIFFUSION, temperature 298K |
