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. |