2CHX
A pharmacological map of the PI3-K family defines a role for p110alpha in signaling: The structure of complex of phosphoinositide 3-kinase gamma with inhibitor PIK-90
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-01-05 |
Detector | ADSC CCD |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 144.490, 68.299, 106.568 |
Unit cell angles | 90.00, 95.34, 90.00 |
Refinement procedure
Resolution | 57.170 - 2.500 |
R-factor | 0.236 |
Rwork | 0.230 |
R-free | 0.28000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1e7v |
RMSD bond length | 0.017 |
RMSD bond angle | 1.666 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 62.300 | 2.640 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.070 | 0.400 |
Number of reflections | 35976 | |
<I/σ(I)> | 16.2 | 2 |
Completeness [%] | 99.8 | 99.8 |
Redundancy | 3.68 | 3.73 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | VAPOUR DIFFUSION 1 MICROLITER PROTEIN PLUS 1 MICROLITER RESERVOIR RESERVOIR: 17% PEG 4000, 250 MM AMMONIUM SULFATE AND 100 MM TRIS PH 7.5 PROTEIN: 4 MG/ML IN 0.5 MM AMMONIUM SULFATE, 20 MM TRIS PH 7.2, 1% ETHYLENE GLYCOL, 0.02% CHAPS AND 5 MM DTT |