1E7U
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 | 1999-09-15 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 145.327, 67.664, 106.650 |
| Unit cell angles | 90.00, 95.05, 90.00 |
Refinement procedure
| Resolution | 72.380 - 2.000 |
| R-factor | 0.254 |
| Rwork | 0.254 |
| R-free | 0.29800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1QMM |
| RMSD bond length | 0.007 |
| RMSD bond angle | 21.700 * |
| 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] | 72.380 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.083 | 94.200 * |
| Total number of observations | 227525 * | |
| Number of reflections | 68705 | |
| <I/σ(I)> | 16.01 | 1.6 |
| Completeness [%] | 97.4 | 94.2 |
| Redundancy | 3.3 | 3 |
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 (%) |
