3QJZ
Crystal structure of PI3K-gamma in complex with benzothiazole 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-07-01 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.9793 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 141.513, 66.871, 105.720 |
| Unit cell angles | 90.00, 96.24, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.900 |
| R-factor | 0.2335 |
| Rwork | 0.230 |
| R-free | 0.29120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e8y |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.106 |
| 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 | 0.069 | 0.036 | 0.602 |
| Number of reflections | 22672 | ||
| <I/σ(I)> | 14.2 | 2.3 | |
| Completeness [%] | 96.1 | 95 | 94 |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 20% PEG 3350, 200 mM ammonium sulfate, 2 mM dithiothreitol, 100 mM Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
