2X38
The crystal structure of the murine class IA PI 3-kinase p110delta in complex with IC87114.
Replaces: 2WXEExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-01-21 |
| Detector | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 142.420, 64.660, 116.900 |
| Unit cell angles | 90.00, 103.39, 90.00 |
Refinement procedure
| Resolution | 56.890 - 2.200 |
| R-factor | 0.2397 |
| Rwork | 0.239 |
| R-free | 0.27719 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rd0 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.250 |
| Data reduction software | iMOSFLM |
| Data scaling software | TRUNCATE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0046) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.890 | 2.220 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.080 | 0.460 |
| Number of reflections | 51811 | |
| <I/σ(I)> | 13.92 | 2.62 |
| Completeness [%] | 98.4 | 97.7 |
| Redundancy | 3.53 | 3.56 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.8 | 20% (V/V) GLYCEROL, 10% (V/V) PEG 4K, 30 MM NANO3, 30 MM NA2HPO4, 30 MM (NH4)2SO4, 100 MM IMIDAZOLE PH 6.8 |
