2WXK
The crystal structure of the murine class IA PI 3-kinase p110delta in complex with INK666.
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 2 2 21 |
| Unit cell lengths | 64.362, 143.669, 223.121 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 68.360 - 2.900 |
| R-factor | 0.21531 |
| Rwork | 0.213 |
| R-free | 0.28719 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rd0 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.693 |
| 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] | 74.330 | 2.920 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.170 | 0.740 |
| Number of reflections | 23471 | |
| <I/σ(I)> | 18.14 | 2.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12.08 | 12.36 |
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 |
