4A55
Crystal structure of p110alpha in complex with iSH2 of p85alpha and the inhibitor PIK-108
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-07-11 |
Detector | MARMOSAIC 225 mm CCD |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 136.092, 147.184, 226.478 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 123.410 - 3.500 |
R-factor | 0.18528 |
Rwork | 0.183 |
R-free | 0.22777 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2rd0 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.527 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0002) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 68.300 | 3.700 |
High resolution limit [Å] | 3.500 | 3.500 |
Rmerge | 0.280 | |
Number of reflections | 29059 | |
<I/σ(I)> | 10.2 | 1.6 |
Completeness [%] | 100.0 | 100 |
Redundancy | 19.2 | 19.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.4 | 0.1 M NAK PHOSPHATE PH 6.4, 0.14 M NH4H2SO4, 0.1 M NA FORMATE, 0.42 M NA2SO4, 15% ETHYLENE GLYCOL | ||
1 | 6.4 | 0.1 M NAK PHOSPHATE PH 6.4, 0.14 M NH4H2SO4, 0.1 M NA FORMATE, 0.42 M NA2SO4, 15% ETHYLENE GLYCOL |