5I6U
The crystal structure of PI3Kdelta with compound 32
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 | 2012-06-07 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.977 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 142.836, 64.926, 117.058 |
| Unit cell angles | 90.00, 103.17, 90.00 |
Refinement procedure
| Resolution | 29.662 - 2.842 |
| R-factor | 0.22 |
| Rwork | 0.212 |
| R-free | 0.30660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xe0 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.727 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | EPMR |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 2.900 |
| High resolution limit [Å] | 2.840 | 7.690 | 2.850 |
| Rmerge | 0.132 | 0.050 | 0.670 |
| Number of reflections | 24148 | ||
| <I/σ(I)> | 7.3 | ||
| Completeness [%] | 97.4 | 99.4 | 83.8 |
| Redundancy | 3.4 | 3.5 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | Crystallization protocol can be found in Somoza et al. (2015). JBC 290, pp. 8439-8446. |
