5VLR
CRYSTAL STRUCTURE OF PI3K DELTA IN COMPLEX WITH A TRIFLUORO-ETHYL-PYRAZOL-PYROLOTRIAZINE INHIBITOR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-12-12 |
| Detector | DECTRIS PILATUS3 X 1M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 90.847, 108.579, 142.734 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.600 - 2.800 |
| R-factor | 0.21 |
| Rwork | 0.208 |
| R-free | 0.27900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.150 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 86.390 | 3.050 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.034 | 0.440 |
| Number of reflections | 34160 | |
| <I/σ(I)> | 22.27 | |
| Completeness [%] | 96.3 | 97.8 |
| Redundancy | 2.8 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 300 | NULL, VAPOR DIFFUSION, TEMPERATURE 293K |
