5SXJ
Crystal Structure of PI3Kalpha in complex with fragment 29
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-02-10 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.97931 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 114.800, 117.931, 150.967 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 92.940 - 3.420 |
R-factor | 0.216 |
Rwork | 0.213 |
R-free | 0.27940 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4ovu |
RMSD bond length | 0.010 |
RMSD bond angle | 1.430 |
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] | 92.940 | 50.000 | 3.570 |
High resolution limit [Å] | 3.420 | 7.430 | 3.420 |
Rmerge | 0.129 | 0.048 | 0.955 |
Number of reflections | 28041 | ||
<I/σ(I)> | 7.9 | ||
Completeness [%] | 99.7 | 97.4 | 99.8 |
Redundancy | 7 | 6.9 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | NaFormate |