2WXJ
The crystal structure of the murine class IA PI 3-kinase p110delta in complex with INK654.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-08-31 |
Detector | ADSC CCD |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 142.882, 64.791, 117.713 |
Unit cell angles | 90.00, 103.21, 90.00 |
Refinement procedure
Resolution | 66.520 - 2.600 |
R-factor | 0.21177 |
Rwork | 0.210 |
R-free | 0.26429 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2rd0 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.306 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0046) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 69.670 | 2.620 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.090 | 0.290 |
Number of reflections | 32463 | |
<I/σ(I)> | 19.45 | 6.77 |
Completeness [%] | 99.2 | 96.9 |
Redundancy | 5.22 | 5.34 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.8 | 20% (V/V) GLYCEROL, 10% (W/V) PEG 4K, 30 MM NANO3, 30 MM NA2HPO4, 30 MM (NH4)2SO4, 100 MM IMIDAZOLE PH 6.8 |