4XE0
Idelalisib bound to the p110 subunit of PI3K delta
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] | 100 |
| Detector technology | CCD |
| Collection date | 2014-07-17 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.977 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 142.049, 64.590, 115.960 |
| Unit cell angles | 90.00, 103.09, 90.00 |
Refinement procedure
| Resolution | 69.179 - 2.434 |
| R-factor | 0.2171 |
| Rwork | 0.213 |
| R-free | 0.28880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wxf |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.202 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.3.6) |
| Phasing software | PHASER (2.5.6) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 69.180 | 69.180 | 2.530 |
| High resolution limit [Å] | 2.430 | 9.110 | 2.430 |
| Rmerge | 0.085 | 0.065 | 0.433 |
| Rpim | 0.053 | 0.040 | 0.273 |
| Total number of observations | 136588 | 2792 | 13807 |
| Number of reflections | 38471 | ||
| <I/σ(I)> | 9.7 | 20.3 | 2.7 |
| Completeness [%] | 99.5 | 99.9 | 98.9 |
| Redundancy | 3.6 | 3.5 | 3.4 |
| CC(1/2) | 0.995 | 0.993 | 0.766 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | Crystals for seeding were obtained by vapor diffusion, followed by preparation of diffraction quality crystals. |
