5XGI
Crystal structure of PI3K complex with an inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | CMOS |
| Collection date | 2014-04-22 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 71.348, 135.825, 150.245 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.560 |
| R-factor | 0.24202 |
| Rwork | 0.239 |
| R-free | 0.29043 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.036 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.650 |
| High resolution limit [Å] | 2.560 | 2.560 |
| Number of reflections | 47786 | 4675 |
| <I/σ(I)> | 12.71 | 2.17 |
| Completeness [%] | 99.8 | 99.7 |
| Redundancy | 6.5 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 0.15M Lithium sulfate, 0.1M Tris-HCl pH 8.5, 28%(W/V) PEG2000MME |
