5SWO
Crystal Structure of PI3Kalpha in complex with fragments 4 and 19
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-10-17 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 114.826, 116.360, 149.442 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 91.810 - 3.500 |
R-factor | 0.193 |
Rwork | 0.189 |
R-free | 0.27430 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4ovu |
RMSD bond length | 0.011 |
RMSD bond angle | 1.537 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 91.810 | 50.000 | 3.630 |
High resolution limit [Å] | 3.500 | 7.530 | 3.500 |
Rmerge | 0.130 | 0.048 | 0.601 |
Number of reflections | 25700 | ||
<I/σ(I)> | 6.5 | ||
Completeness [%] | 99.7 | 99.4 | 98.1 |
Redundancy | 6.8 | 6.8 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | NaFormate |