5I4U
The crystal structure of PI3Kdelta with compound 34
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 | 2015-01-27 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 64.272, 143.482, 221.053 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.890 - 2.372 |
| R-factor | 0.226 |
| Rwork | 0.222 |
| R-free | 0.28979 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xe0 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.307 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.890 | 2.440 |
| High resolution limit [Å] | 2.370 | 2.370 |
| Number of reflections | 39166 | |
| <I/σ(I)> | 25.5 | 2 |
| Completeness [%] | 95.8 | 95.6 |
| Redundancy | 5.6 | 5.3 |
| CC(1/2) | 0.722 |
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. |
