4HVB
Catalytic unit of PI3Kg in complex with PI3K/mTOR dual inhibitor PF-04979064
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 98 |
| Detector technology | CCD |
| Collection date | 2010-02-05 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 144.800, 67.584, 106.897 |
| Unit cell angles | 90.00, 95.48, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.350 |
| R-factor | 0.276 |
| Rwork | 0.270 |
| R-free | 0.33340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNX |
| Refinement software | CNX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.390 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.527 | |
| Number of reflections | 41273 | |
| <I/σ(I)> | 1.8 | |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 286 | 18.5% (w/v)PEG3350, 0.1M BTP, pH 8.2, 0.2M (NH4)2SO4 ,10% (v/v)Ethylene Glycol, 10mM TCEP, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 286K |
