1E8Y
Structure determinants of phosphoinositide 3-kinase inhibition by wortmannin, LY294002, quercetin, myricetin and staurosporine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-11-15 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 139.227, 66.255, 102.642 |
| Unit cell angles | 90.00, 97.85, 90.00 |
Refinement procedure
| Resolution | 68.960 - 2.000 |
| R-factor | 0.245 |
| Rwork | 0.245 |
| R-free | 0.30500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1QMM |
| RMSD bond length | 0.016 |
| RMSD bond angle | 23.000 * |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CNS (1.0) |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.960 | 2.130 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.079 | |
| Total number of observations | 176129 * | |
| Number of reflections | 58245 | |
| <I/σ(I)> | 16.5 | 2.32 |
| Completeness [%] | 92.8 | 72.9 |
| Redundancy | 3.02 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.2 * | 17 * | used hair seeding * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | Tris | 0.1 (M) | |
| 2 | 1 | reservoir | ammonium sulfate | 250 (mM) | |
| 3 | 1 | reservoir | PEG4000 | 19 (%) |
